Cas no 33617-65-1 (Propanoic acid, 2-methyl-, 2-naphthalenyl ester)
33617-65-1 structure
Product Name:Propanoic acid, 2-methyl-, 2-naphthalenyl ester
CAS No:33617-65-1
MF:C14H14O2
MW:214.259764194489
CID:1459121
PubChem ID:532743
Update Time:2025-04-20
Propanoic acid, 2-methyl-, 2-naphthalenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-methyl-, 2-naphthalenyl ester
- naphthalen-2-yl 2-methylpropanoate
- 2-naphthyl 2-methylpropanoate
- 2-Methylpropionic acid, 2-naphthyl ester
- 33617-65-1
- AN-652/13572206
- DTXSID70336368
- 2-naphthyl isobutyrate
- RVFNBABJYWYXFR-UHFFFAOYSA-N
- SCHEMBL11996303
- BETA-NAPHTHYL ISOBUTYRATE
-
- Inchi： 1S/C14H14O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
- InChI Key： RVFNBABJYWYXFR-UHFFFAOYSA-N
- SMILES： O(C(C(C)C)=O)C1C=CC2C=CC=CC=2C=1
Computed Properties
- Exact Mass: 214.09942
- Monoisotopic Mass: 214.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 247
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid, 2-methyl-, 2-naphthalenyl ester Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
33617-65-1 (Propanoic acid, 2-methyl-, 2-naphthalenyl ester) Related Products
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