Cas no 61405-09-2 (Cyclohexanecarboxylic acid, 1-methyl-4-phenyl-)
61405-09-2 structure
Product Name:Cyclohexanecarboxylic acid, 1-methyl-4-phenyl-
CAS No:61405-09-2
MF:C14H18O2
MW:218.291524410248
CID:480643
PubChem ID:12287098
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 1-methyl-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 1-methyl-4-phenyl-
- 1-methyl-4-phenylcyclohexane-1-carboxylic acid
- SCHEMBL1836885
- 61405-09-2
- DTXSID20484565
-
- Inchi： 1S/C14H18O2/c1-14(13(15)16)9-7-12(8-10-14)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)
- InChI Key： INJQHFWJSWSBTN-UHFFFAOYSA-N
- SMILES： OC(C1(C)CCC(C2C=CC=CC=2)CC1)=O
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 246
- 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: 3.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Cyclohexanecarboxylic acid, 1-methyl-4-phenyl- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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