Cas no 955886-81-4 (methyl 3-amino-4,5-dihydroxy-benzoate hydrochloride)
955886-81-4 structure
Product Name:methyl 3-amino-4,5-dihydroxy-benzoate hydrochloride
CAS No:955886-81-4
MF:C8H10ClNO4
MW:219.622301578522
CID:1066923
PubChem ID:44203162
Update Time:2025-04-20
methyl 3-amino-4,5-dihydroxy-benzoate hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-amino-4,5-dihydroxy-benzoate hydrochloride
- 3-Amino-4,5-dihydroxy benzoic acid methyl ester hydrochloride
- 955886-81-4
- IYKQJKYQHIMHNI-UHFFFAOYSA-N
- SCHEMBL642672
- methyl 3-amino-4,5-dihydroxybenzoate hydrochloride
- DB-402179
-
- Inchi： 1S/C8H9NO4.ClH/c1-13-8(12)4-2-5(9)7(11)6(10)3-4;/h2-3,10-11H,9H2,1H3;1H
- InChI Key： IYKQJKYQHIMHNI-UHFFFAOYSA-N
- SMILES： Cl.OC1C(=CC(C(=O)OC)=CC=1N)O
Computed Properties
- Exact Mass: 219.03
- Monoisotopic Mass: 219.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 197
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.8A^2
methyl 3-amino-4,5-dihydroxy-benzoate hydrochloride Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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