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124054-15-5 | Benzoic acid, 3-(4-heptylbenzoyl)-
CAS No: 124054-15-5 Catalog No: AG000LGU MDL No:
Product Description
Catalog Number:
AG000LGU
Chemical Name:
Benzoic acid, 3-(4-heptylbenzoyl)-
CAS Number:
124054-15-5
Molecular Formula:
C21H24O3
Molecular Weight:
324.4135
IUPAC Name:
3-(4-heptylbenzoyl)benzoic acid
InChI:
InChI=1S/C21H24O3/c1-2-3-4-5-6-8-16-11-13-17(14-12-16)20(22)18-9-7-10-19(15-18)21(23)24/h7,9-15H,2-6,8H2,1H3,(H,23,24)
InChI Key:
SMCBBWKNXCJJFM-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.42g/mol
Monoisotopic Mass:
324.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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