Cas no 887589-09-5 (1,2-Benzenediaceticacid, 3-nitro-)
887589-09-5 structure
Product Name:1,2-Benzenediaceticacid, 3-nitro-
CAS No:887589-09-5
MF:C10H9NO6
MW:239.181563138962
CID:713513
PubChem ID:29922223
Update Time:2025-04-19
1,2-Benzenediaceticacid, 3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediaceticacid, 3-nitro-
- 2-[2-(carboxymethyl)-3-nitrophenyl]acetic acid
- 887589-09-5
- DTXSID00652184
- 2,2'-(3-Nitro-1,2-phenylene)diacetic acid
- AKOS015961877
-
- Inchi： 1S/C10H9NO6/c12-9(13)4-6-2-1-3-8(11(16)17)7(6)5-10(14)15/h1-3H,4-5H2,(H,12,13)(H,14,15)
- InChI Key： HLCBBVPNXRLNEV-UHFFFAOYSA-N
- SMILES： OC(CC1C(=CC=CC=1CC(=O)O)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 239.04298701g/mol
- Monoisotopic Mass: 239.04298701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 323
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.7
- Topological Polar Surface Area: 120?2
1,2-Benzenediaceticacid, 3-nitro- Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
887589-09-5 (1,2-Benzenediaceticacid, 3-nitro-) Related Products
- 23876-15-5(2-(2-methyl-3-nitrophenyl)acetic acid)
- 3740-52-1(2-(2-nitrophenyl)acetic acid)
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- 37777-81-4(2-(5-Methyl-2-nitrophenyl)acetic acid)
- 54941-44-5(2-(4-Methyl-3-nitrophenyl)acetic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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