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933674-59-0 | cis-2-(3-Methylbenzoyl)cyclohexane-1-carboxylic acid
CAS No: 933674-59-0 Catalog No: AG01F8NB MDL No:
Product Description
Catalog Number:
AG01F8NB
Chemical Name:
cis-2-(3-Methylbenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
933674-59-0
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
2-(3-methylbenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H18O3/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15(17)18/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,17,18)
InChI Key:
QSSIEUMRWFFUAB-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCC1C(=O)c1cccc(c1)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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