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

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

CAS No.:
1559956-82-9
Catalog Number:
AG01DVO9
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
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Product Description
Catalog Number:
AG01DVO9
Chemical Name:
3-(3-methylcyclohexyl)-2-phenylpropanoic acid, Mixture of diastereomers
CAS Number:
1559956-82-9
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
MDL Number:
MFCD25055397
IUPAC Name:
3-(3-methylcyclohexyl)-2-phenylpropanoic acid
InChI:
InChI=1S/C16H22O2/c1-12-6-5-7-13(10-12)11-15(16(17)18)14-8-3-2-4-9-14/h2-4,8-9,12-13,15H,5-7,10-11H2,1H3,(H,17,18)
InChI Key:
VNZWBYVUSPBWDS-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1)CC(c1ccccc1)C(=O)O
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties