Cas no 71489-74-2 (Benzoic acid, 3-hydroxy-4-methoxy-2-nitro-)
71489-74-2 structure
Product Name:Benzoic acid, 3-hydroxy-4-methoxy-2-nitro-
CAS No:71489-74-2
MF:C8H7NO6
MW:213.144282579422
CID:531037
PubChem ID:12954168
Update Time:2025-04-19
Benzoic acid, 3-hydroxy-4-methoxy-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-hydroxy-4-methoxy-2-nitro-
- 3-hydroxy-4-methoxy-2-nitrobenzoic acid
- SCHEMBL1447280
- DTXSID80513825
- J-018549
- 71489-74-2
- 3-hydroxy-4-methoxy-2-nitrobenzoicacid
- YYWQCALAWQAWKT-UHFFFAOYSA-N
-
- Inchi： 1S/C8H7NO6/c1-15-5-3-2-4(8(11)12)6(7(5)10)9(13)14/h2-3,10H,1H3,(H,11,12)
- InChI Key： YYWQCALAWQAWKT-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C(=O)O)=C(C=1O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 213.02733694g/mol
- Monoisotopic Mass: 213.02733694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 1.8
- Topological Polar Surface Area: 113?2
Benzoic acid, 3-hydroxy-4-methoxy-2-nitro- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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