Cas no 22440-38-6 (2-Naphthalenecarboxylic acid, 3,4-dihydro-)
22440-38-6 structure
Product Name:2-Naphthalenecarboxylic acid, 3,4-dihydro-
CAS No:22440-38-6
MF:C11H10O2
MW:174.195903301239
CID:1410259
PubChem ID:582283
Update Time:2025-04-20
2-Naphthalenecarboxylic acid, 3,4-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 3,4-dihydro-
- 3,4-dihydronaphthalene-2-carboxylic acid
- SCHEMBL983738
- 22440-38-6
- 3,4-dihydro-2-naphthoic acid
- 3,4-Dihydro-.beta.-naphthoic acid
- AT23526
- DTXSID80342475
- 3,4-Dihydro-2-naphthalenecarboxylic acid #
-
- Inchi： 1S/C11H10O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,7H,5-6H2,(H,12,13)
- InChI Key： DQLKBRLDGQHWCJ-UHFFFAOYSA-N
- SMILES： OC(C1=CC2C=CC=CC=2CC1)=O
Computed Properties
- Exact Mass: 174.0681
- Monoisotopic Mass: 174.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 243
- 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: 2.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Naphthalenecarboxylic acid, 3,4-dihydro- Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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