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1-Hydroxycyclopropanecarboxylic acid methyl ester

CAT: 0926-FH24324-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24324-01Size:250 mg
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CAS Number
33689-29-1
Synonyms
Methyl 1-hydroxycyclopropane-1-carboxylate; Methyl 1-hydroxycyclopropanecarboxylate
MDL Number
MFCD02093884
Smiles
COC (=O) C1 (CC1) O
Molecular Formula
C5H8O3
Molecular Weight
116.12 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Methyl 1-hydroxy-1-cyclopropane carboxylate
CAS Number33689-29-1
PubChem CID2733178
IUPAC Namemethyl 1-hydroxycyclopropane-1-carboxylate
Molecular FormulaC5H8O3
Molecular Weight116.11
XLogP-0.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity115
SMILES
COC(=O)C1(CC1)O
InChI
InChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3
InChIKey
KPJWVJURYXOHOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 1-hydroxy-1-cyclopropane carboxylate
CAS: 33689-29-1
CID: 2733178
Formula: C5H8O3
MW: 116.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.11
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass116.047344113
Monoisotopic Mass116.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity115
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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