Cas no 77100-94-8 (Cyclohexaneacetic acid, phenylmethyl ester)
77100-94-8 structure
Product Name:Cyclohexaneacetic acid, phenylmethyl ester
CAS No:77100-94-8
MF:C15H20O2
MW:232.318104743958
CID:1783491
PubChem ID:12627929
Update Time:2025-04-21
Cyclohexaneacetic acid, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneacetic acid, phenylmethyl ester
- benzyl 2-cyclohexylacetate
- SCHEMBL304920
- 77100-94-8
-
- MDL： MFCD11976274
- Inchi： 1S/C15H20O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
- InChI Key： CHVASTAZLOFCLP-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(CC1CCCCC1)=O
Computed Properties
- Exact Mass: 232.1464
- Monoisotopic Mass: 232.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 225
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Cyclohexaneacetic acid, phenylmethyl ester Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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