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30536-68-6 | Benzenenonanoic acid, 2-propyl-
CAS No: 30536-68-6 Catalog No: AG0030H5 MDL No:
Product Description
Catalog Number:
AG0030H5
Chemical Name:
Benzenenonanoic acid, 2-propyl-
CAS Number:
30536-68-6
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
IUPAC Name:
9-(2-propylphenyl)nonanoic acid
InChI:
InChI=1S/C18H28O2/c1-2-11-16-13-9-10-14-17(16)12-7-5-3-4-6-8-15-18(19)20/h9-10,13-14H,2-8,11-12,15H2,1H3,(H,19,20)
InChI Key:
YGKZIGPHFUFUBH-UHFFFAOYSA-N
SMILES:
CCCc1ccccc1CCCCCCCCC(=O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.42g/mol
Monoisotopic Mass:
276.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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