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61468-99-3 | cis-4-(4-Methoxybenzoyl)cyclohexane-1-carboxylic acid
CAS No: 61468-99-3 Catalog No: AG01F8CH MDL No:
Product Description
Catalog Number:
AG01F8CH
Chemical Name:
cis-4-(4-Methoxybenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
61468-99-3
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
4-(4-methoxybenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H18O4/c1-19-13-8-6-11(7-9-13)14(16)10-2-4-12(5-3-10)15(17)18/h6-10,12H,2-5H2,1H3,(H,17,18)
InChI Key:
ZCOFSVWMFCGXFR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)[C@@H]1CC[C@@H](CC1)C(=O)O
Properties
Complexity:
323
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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