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1385694-58-5 | Cyclohexanecarboxylic acid, 1-[4-(1,1-dimethylethyl)phenyl]-4-oxo-
CAS No: 1385694-58-5 Catalog No: AG0018QK MDL No:MFCD22423119
Product Description
Catalog Number:
AG0018QK
Chemical Name:
Cyclohexanecarboxylic acid, 1-[4-(1,1-dimethylethyl)phenyl]-4-oxo-
CAS Number:
1385694-58-5
Molecular Formula:
C17H22O3
Molecular Weight:
274.3548
MDL Number:
MFCD22423119
IUPAC Name:
1-(4-tert-butylphenyl)-4-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C17H22O3/c1-16(2,3)12-4-6-13(7-5-12)17(15(19)20)10-8-14(18)9-11-17/h4-7H,8-11H2,1-3H3,(H,19,20)
InChI Key:
BQJZGJGSHIBIEP-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCC(=O)CC1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.36g/mol
Monoisotopic Mass:
274.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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