Cas no 62315-35-9 (Benzenehexanoic acid, 4-methyl-)
62315-35-9 structure
Product Name:Benzenehexanoic acid, 4-methyl-
CAS No:62315-35-9
MF:C13H18O2
MW:206.280824184418
CID:449583
PubChem ID:23083861
Update Time:2025-04-19
Benzenehexanoic acid, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenehexanoic acid, 4-methyl-
- 6-(4-methylphenyl)hexanoic acid
- SCHEMBL878982
- 62315-35-9
- 6-p-tolyl-hexanoic acid
- MFCD12172600
- AKOS009480990
- DTXSID20630429
- 6-(p-Tolyl)hexanoic acid
-
- Inchi： 1S/C13H18O2/c1-11-7-9-12(10-8-11)5-3-2-4-6-13(14)15/h7-10H,2-6H2,1H3,(H,14,15)
- InChI Key： SBUWTMNODQOPKG-UHFFFAOYSA-N
- SMILES： OC(CCCCCC1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 181
- 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: 3.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzenehexanoic acid, 4-methyl- Related Literature
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
62315-35-9 (Benzenehexanoic acid, 4-methyl-) Related Products
- 501-52-0(3-Phenylpropionic acid)
- 4165-96-2(3-phenylpentanedioic acid)
- 3443-45-6(1-Pyrenebutyric acid)
- 4521-22-6(4-(p-Tolyl)butyric acid)
- 5581-75-9(6-Phenylhexanoic acid)
- 1505-50-6(3-(4-Methylphenyl)propanoic Acid)
- 782-28-5(2-Naphthalenebutanoic Acid)
- 1821-12-1(4-Phenylbutyric acid)
- 2270-20-4(5-Phenylvaleric acid)
- 26547-51-3(8-Phenyloctanoic acid)
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