Cas no 401623-89-0 (1-Naphthalenecarboxylicacid, 2,3-dihydroxy-, methyl ester)
401623-89-0 structure
Product Name:1-Naphthalenecarboxylicacid, 2,3-dihydroxy-, methyl ester
CAS No:401623-89-0
MF:C12H10O4
MW:218.205403804779
CID:325819
Update Time:2024-01-28
1-Naphthalenecarboxylicacid, 2,3-dihydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1-Naphthalenecarboxylicacid, 2,3-dihydroxy-, methyl ester
- 1-Naphthalenecarboxylic acid, 2,3-dihydroxy-, methyl ester (9CI)
- methyl 2,3-dihydroxynaphthalene-1-carboxylate
- 1-Naphthalenecarboxylic acid, 2,3-dihydroxy-, methyl ester
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- Inchi： 1S/C12H10O4/c1-16-12(15)10-8-5-3-2-4-7(8)6-9(13)11(10)14/h2-6,13-14H,1H3
- InChI Key： IIXYVWOARPEXIB-UHFFFAOYSA-N
- SMILES： C1(C(OC)=O)=C2C(C=CC=C2)=CC(O)=C1O
Computed Properties
- Exact Mass: 218.058
- Monoisotopic Mass: 218.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 266
- 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
- Topological Polar Surface Area: 66.8A^2
Experimental Properties
- Density: 1.378±0.06 g/cm3(Predicted)
- Boiling Point: 402.7±25.0 °C(Predicted)
- pka: 7.82±0.50(Predicted)
1-Naphthalenecarboxylicacid, 2,3-dihydroxy-, methyl ester Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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