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13380-84-2 | 4-(Hydroxymethyl);cyclohexanecarboxylic acid
CAS No: 13380-84-2 Catalog No: AG003K8M MDL No:MFCD01734677
Product Description
Catalog Number:
AG003K8M
Chemical Name:
4-(Hydroxymethyl);cyclohexanecarboxylic acid
CAS Number:
13380-84-2
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD01734677
IUPAC Name:
4-(hydroxymethyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChI Key:
VQMIUUBKKPIDBN-UHFFFAOYSA-N
SMILES:
OCC1CCC(CC1)C(=O)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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