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128596-01-0 | Benzenepentanoic acid, 4-(4-heptylbenzoyl)-
CAS No: 128596-01-0 Catalog No: AG000Y8H MDL No:
Product Description
Catalog Number:
AG000Y8H
Chemical Name:
Benzenepentanoic acid, 4-(4-heptylbenzoyl)-
CAS Number:
128596-01-0
Molecular Formula:
C25H32O3
Molecular Weight:
380.5198
IUPAC Name:
5-[4-(4-heptylbenzoyl)phenyl]pentanoic acid
InChI:
InChI=1S/C25H32O3/c1-2-3-4-5-6-9-20-12-16-22(17-13-20)25(28)23-18-14-21(15-19-23)10-7-8-11-24(26)27/h12-19H,2-11H2,1H3,(H,26,27)
InChI Key:
IHFQGEDFEXGPFR-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C(=O)c1ccc(cc1)CCCCC(=O)O
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.235g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.528g/mol
Monoisotopic Mass:
380.235g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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