Cas no 102275-68-3 (Propanoic acid, 2-methyl-, 6-methyl-2-naphthalenyl ester)
102275-68-3 structure
Product Name:Propanoic acid, 2-methyl-, 6-methyl-2-naphthalenyl ester
CAS No:102275-68-3
MF:C15H16O2
MW:228.286344528198
CID:1135244
PubChem ID:23046887
Update Time:2025-04-20
Propanoic acid, 2-methyl-, 6-methyl-2-naphthalenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-methyl-, 6-methyl-2-naphthalenyl ester
- (6-methylnaphthalen-2-yl) 2-methylpropanoate
- 2-methyl-6-isobutyryloxynaphthalene
- SMNNYSWMWVTDSM-UHFFFAOYSA-N
- SCHEMBL10458492
- 102275-68-3
- 6-Methylnaphthalen-2-yl isobutyrate
- 6-Methylnaphthalen-2-yl 2-methylpropanoate
- DTXSID60630024
-
- Inchi： 1S/C15H16O2/c1-10(2)15(16)17-14-7-6-12-8-11(3)4-5-13(12)9-14/h4-10H,1-3H3
- InChI Key： SMNNYSWMWVTDSM-UHFFFAOYSA-N
- SMILES： O(C(C(C)C)=O)C1C=CC2C=C(C)C=CC=2C=1
Computed Properties
- Exact Mass: 228.11503g/mol
- Monoisotopic Mass: 228.11503g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 272
- 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
- Molecular Weight: 228.29g/mol
- XLogP3: 4.3
- Topological Polar Surface Area: 26.3?2
Propanoic acid, 2-methyl-, 6-methyl-2-naphthalenyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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