Cas no 70563-82-5 (1-Naphthalenecarboxylic acid, 3,4-dihydro-, methyl ester)
70563-82-5 structure
Product Name:1-Naphthalenecarboxylic acid, 3,4-dihydro-, methyl ester
CAS No:70563-82-5
MF:C12H12O2
MW:188.222483634949
CID:547059
PubChem ID:12482183
Update Time:2025-04-19
1-Naphthalenecarboxylic acid, 3,4-dihydro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarboxylic acid, 3,4-dihydro-, methyl ester
- methyl 3,4-dihydronaphthalene-1-carboxylate
- 70563-82-5
- NHAHDUVUAJBAKH-UHFFFAOYSA-N
- 1-carbomethoxy-3,4-dihydronaphthalene
- SCHEMBL5230608
- DTXSID90499904
-
- Inchi： 1S/C12H12O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7-8H,4,6H2,1H3
- InChI Key： NHAHDUVUAJBAKH-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CCCC2C=CC=CC=21)=O
Computed Properties
- Exact Mass: 188.08376
- Monoisotopic Mass: 188.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 255
- 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: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1-Naphthalenecarboxylic acid, 3,4-dihydro-, methyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
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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