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933674-60-3 | cis-2-(3-Methoxybenzoyl)cyclohexane-1-carboxylic acid
CAS No: 933674-60-3 Catalog No: AG01F8DI MDL No:
Product Description
Catalog Number:
AG01F8DI
Chemical Name:
cis-2-(3-Methoxybenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
933674-60-3
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
2-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H18O4/c1-19-11-6-4-5-10(9-11)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:
YARDQVUNMXKFIK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)C1CCCCC1C(=O)O
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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