Cas no 105401-68-1 (3-methylBenzenepentanoic acid)
3-methylBenzenepentanoic acid structure
Product Name:3-methylBenzenepentanoic acid
CAS No:105401-68-1
MF:C12H16O2
MW:192.254243850708
CID:2134910
PubChem ID:11593587
Update Time:2025-04-21
3-methylBenzenepentanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-methylBenzenepentanoic acid
- PSYXZNZHWQDIOZ-UHFFFAOYSA-N
- 5-(M-tolyl)pentanoic acid
- DA-23325
- SCHEMBL3249491
- SY364626
- 105401-68-1
- 5-(3-methylphenyl)pentanoic Acid
- MFCD20641737
-
- Inchi： 1S/C12H16O2/c1-10-5-4-7-11(9-10)6-2-3-8-12(13)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,14)
- InChI Key： PSYXZNZHWQDIOZ-UHFFFAOYSA-N
- SMILES： OC(CCCCC1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 192.115029749Da
- Monoisotopic Mass: 192.115029749Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 37.3?2
3-methylBenzenepentanoic acid Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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