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1123-25-7 | 1-Methylcyclohexanecarboxylic acid
CAS No: 1123-25-7 Catalog No: AG003EGZ MDL No:MFCD00001463
Product Description
Catalog Number:
AG003EGZ
Chemical Name:
1-Methylcyclohexanecarboxylic acid
CAS Number:
1123-25-7
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD00001463
IUPAC Name:
1-methylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)
InChI Key:
REHQLKUNRPCYEW-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCCCC1
EC Number:
214-371-3
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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