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cis-Chrysanthemic Acid

CAT: 0572-TRC-C596185-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C596185-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2935-23-1
Synonyms
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3S)-rel-; Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3S)-rel- (9CI); Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, cis-(±)-; Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, cis-(±)- (8CI); rel-(1R,3S)-2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylic acid; (±)-cis-Chrysanthemic acid; (±)-cis-Chrysanthemumic acid; (±)-cis-Chrysanthemummonocarboxylic acid; Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, cis-; DL-cis-Chrysanthemic acid; DL-cis-Chrysanthemumic acid; cis-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid; cis-Chrysanthemic acid; cis-Chrysanthemumic acid; cis-DL-Chrysanthemumic acid; dl-cis-Chrysanthemic acid; dl-cis-Chrysanthemummonocarboxylic acid
Hazard Statement
Causes skin irritation.
Smiles
CC(=C[C@@H]1[C@H](C(=O)O)C1(C)C)C
Molecular Formula
C10 H16 O2
Molecular Weight
168.233
InChI
InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8-/m1/s1
Additionnal Information
IUPAC name: (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Chrysanthemic acid, cis-(+)-

(+)-cis-chrysanthemic acid is a cis-chrysanthemic acid. It is an enantiomer of a (-)-cis-chrysanthemic acid.

CAS Number2935-23-1
PubChem CID33606
IUPAC Nametrans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
Molecular FormulaC10H16O2
Molecular Weight168.23
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity234
SMILES
CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C
InChI
InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8-/m0/s1
InChIKey
XLOPRKKSAJMMEW-YUMQZZPRSA-N
Chemical Structure
2D Structure
2D structure of Chrysanthemic acid, cis-(+)-
CAS: 2935-23-1
CID: 33606
Formula: C10H16O2
MW: 168.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.23
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass168.115029749
Monoisotopic Mass168.115029749
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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