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15872-43-2 | Benzoic acid, 4-(nonyloxy)-
CAS No: 15872-43-2 Catalog No: AG001QT9 MDL No:
Product Description
Catalog Number:
AG001QT9
Chemical Name:
Benzoic acid, 4-(nonyloxy)-
CAS Number:
15872-43-2
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
4-nonoxybenzoic acid
InChI:
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h9-12H,2-8,13H2,1H3,(H,17,18)
InChI Key:
BOZLUAUKDKKZHJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Identification and characterization of 4-hexylbenzoic acid and 4-nonyloxybenzoic acid as substrates of CYP102A1. | Applied microbiology and biotechnology 20110401 |
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