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Cis-4- (Hydroxymethyl) cyclohexanecarboxylicacid

CAT: 0926-FH147199-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FH147199-01Size:10 g
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CAS Number
73094-35-6
MDL Number
MFCD10566906
Smiles
C1CC (CCC1CO) C (=O) O
Molecular Formula
C8H14O3
Molecular Weight
158.19 g/mol
Controlled
No

Chemical Information

Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-
CAS Number73094-35-6
PubChem CID202819
IUPAC Name4-(hydroxymethyl)cyclohexane-1-carboxylic acid
Molecular FormulaC8H14O3
Molecular Weight158.19
XLogP0.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
C1CC(CCC1CO)C(=O)O
InChI
InChI=1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChIKey
VQMIUUBKKPIDBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-
CAS: 73094-35-6
CID: 202819
Formula: C8H14O3
MW: 158.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.19
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass158.094294304
Monoisotopic Mass158.094294304
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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