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2-Hydroxycyclopentane-1-carboxylic acid

CAT: 0926-GDA88789-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GDA88789-01Size:50 mg
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CAS Number
81887-89-0
MDL Number
MFCD17270607
Smiles
C1CC (C (C1) O) C (=O) O
Molecular Formula
C6H10O3
Molecular Weight
130.14 g/mol
Controlled
No

Chemical Information

2-Hydroxycyclopentane-1-carboxylic acid
CAS Number81887-89-0
PubChem CID552195
IUPAC Name2-hydroxycyclopentane-1-carboxylic acid
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP0.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity121
SMILES
C1CC(C(C1)O)C(=O)O
InChI
InChI=1S/C6H10O3/c7-5-3-1-2-4(5)6(8)9/h4-5,7H,1-3H2,(H,8,9)
InChIKey
VCHGSWURBGPKQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxycyclopentane-1-carboxylic acid
CAS: 81887-89-0
CID: 552195
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes