Cas no 76964-14-2 (2-Naphthalenecarboxylic acid, 3,4-dihydro-5,8-dimethyl-)
76964-14-2 structure
Product Name:2-Naphthalenecarboxylic acid, 3,4-dihydro-5,8-dimethyl-
CAS No:76964-14-2
MF:C13H14O2
MW:202.249063968658
CID:536965
PubChem ID:15934403
Update Time:2025-04-19
2-Naphthalenecarboxylic acid, 3,4-dihydro-5,8-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 3,4-dihydro-5,8-dimethyl-
- 5,8-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid
- DTXSID00579827
- 76964-14-2
-
- Inchi： 1S/C13H14O2/c1-8-3-4-9(2)12-7-10(13(14)15)5-6-11(8)12/h3-4,7H,5-6H2,1-2H3,(H,14,15)
- InChI Key： GQJMHJFTKGNIMA-UHFFFAOYSA-N
- SMILES： OC(C1=CC2C(C)=CC=C(C)C=2CC1)=O
Computed Properties
- Exact Mass: 202.099379685g/mol
- Monoisotopic Mass: 202.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 293
- 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
- Topological Polar Surface Area: 37.3?2
2-Naphthalenecarboxylic acid, 3,4-dihydro-5,8-dimethyl- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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