Cas no 24716-09-4 (Benzeneacetic acid, a-butyl-)
Benzeneacetic acid, a-butyl- structure
Product Name:Benzeneacetic acid, a-butyl-
CAS No:24716-09-4
MF:C12H16O2
MW:192.254243850708
CID:256028
PubChem ID:32601
Update Time:2025-04-19
Benzeneacetic acid, a-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-butyl-
- 2-phenylhexanoic acid
- alpha-Butylphenylacetic acid
- DTXSID90947652
- 24716-09-4
- SCHEMBL455432
- HEXANOIC ACID, 2-PHENYL-
- BRN 3200050
- AKOS005136970
- (+-)-2-Phenylhexanoic acid
- alpha-Butylbenzeneacetic acid
- phenylhexanoic acid
- Benzeneacetic acid, alpha-butyl-
- alpha-Phenylcaproic acid
-
- Inchi： 1S/C12H16O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,13,14)
- InChI Key： PGIOANNVJQQCDT-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)CCCC)=O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzeneacetic acid, a-butyl- Related Literature
-
C. L. Arcus,J. Kenyon,S. Levin J. Chem. Soc. 1951 407
-
Jan Otevrel,David Svestka,Pavel Bobal RSC Adv. 2020 10 25029
-
3. Index of authors, 1951
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