Home Carboxys 1-hydroxy-4-methylcyclohexane-1-carboxylic acid

1-hydroxy-4-methylcyclohexane-1-carboxylic acid

CAS No.:
41248-15-1
Catalog Number:
AG00CK58
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG00CK58
Chemical Name:
1-hydroxy-4-methylcyclohexane-1-carboxylic acid
CAS Number:
41248-15-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD14601959
IUPAC Name:
1-hydroxy-4-methylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H14O3/c1-6-2-4-8(11,5-3-6)7(9)10/h6,11H,2-5H2,1H3,(H,9,10)
InChI Key:
GPPBORVXLHFQLL-UHFFFAOYSA-N
SMILES:
CC1CCC(CC1)(O)C(=O)O
Properties
Complexity:
157  
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:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties