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16437-59-5 | 1,2-Benzenedicarboxylic acid, 1-hydrazide
CAS No: 16437-59-5 Catalog No: AG001UUM MDL No:MFCD20638602
Product Description
Catalog Number:
AG001UUM
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-hydrazide
CAS Number:
16437-59-5
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD20638602
IUPAC Name:
2-(hydrazinecarbonyl)benzoic acid
InChI:
InChI=1S/C8H8N2O3/c9-10-7(11)5-3-1-2-4-6(5)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)
InChI Key:
VJEZYZLITKUTFH-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccccc1C(=O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
Literature
| Title | Journal |
|---|---|
| (Ethano-lato-κO)[N'-(3-meth-oxy-2-oxidobenzyl-idene-κO(2))benzo-hydrazidato-κ(2)N',O]oxidovanadium(V). | Acta crystallographica. Section E, Structure reports online 20120801 |
| Aqua-(benzamidato-κN)bis-[3,5-difluoro-2-(pyridin-2-yl)phenyl-κC]iridium(III) methanol monosolvate. | Acta crystallographica. Section E, Structure reports online 20120301 |
| Bis[N'-(9H-fluoren-9-yl-idene)benzohydrazidato-κN',O]copper(II). | Acta crystallographica. Section E, Structure reports online 20111101 |
| (Benzohydrazidato-κN',O)-[2-(benzoyl-hydrazono-κN,O)propion-ato-κO]oxido-vanadium(V). | Acta crystallographica. Section E, Structure reports online 20090401 |
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