Home Other Building Blocks 2-(3-methylcyclohexyl)acetic acid, Mixture of diastereomers

2-(3-methylcyclohexyl)acetic acid, Mixture of diastereomers

CAS No.:
67451-76-7
Catalog Number:
AG01A8PJ
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01A8PJ
Chemical Name:
2-(3-methylcyclohexyl)acetic acid, Mixture of diastereomers
CAS Number:
67451-76-7
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD11172901
IUPAC Name:
2-(3-methylcyclohexyl)acetic acid
InChI:
InChI=1S/C9H16O2/c1-7-3-2-4-8(5-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChI Key:
AEWINPKFTZLDHZ-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1)CC(=O)O
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties