Cas no 85777-52-2 ((2S)-1,2,3,4-tetrahedro-naphthoic acid)
85777-52-2 structure
Product Name:(2S)-1,2,3,4-tetrahedro-naphthoic acid
CAS No:85777-52-2
MF:C11H12O2
MW:176.211783409119
CID:1015979
PubChem ID:6950559
Update Time:2025-04-20
(2S)-1,2,3,4-tetrahedro-naphthoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2S)-1,2,3,4-tetrahedro-naphthoic acid
- (S)-(-)-1,2,3,4-TETRAHEDRO-NAPHTHOIC ACID
- AKOS006311326
- starbld0033958
- 85777-52-2
- 83721-32-8
- F97424
- (S)-1,2,3,4-Tetrahydronaphthalene-2-carboxylic acid
- SCHEMBL6427539
- (2S)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
-
- Inchi： 1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,12,13)/t10-/m0/s1
- InChI Key： NTAGXJQHJQUOOA-JTQLQIEISA-N
- SMILES： OC([C@@H]1CC2C=CC=CC=2CC1)=O
Computed Properties
- Exact Mass: 176.084
- Monoisotopic Mass: 176.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 2.1
(2S)-1,2,3,4-tetrahedro-naphthoic acid Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Jason Wan Lab Chip, 2020,20, 4528-4538
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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