| CAS Number | 26175-71-3 |
| Catalog Number | AG01AB79 |
| Chemical Name | 3-(Hydrazinecarbonyl)benzoic acid |
| IUPAC Name | 3-(hydrazinecarbonyl)benzoic acid |
| InChI | InChI=1S/C8H8N2O3/c9-10-7(11)5-2-1-3-6(4-5)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13) |
| InChI Key | QPUVFEMYORGPAE-UHFFFAOYSA-N |
| MDL Number | MFCD20547519 |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.1607 |
| SMILES | NNC(C1=CC(C(O)=O)=CC=C1)=O |
| Synonyms | 3-(hydrazinecarbonyl)benzoic acid,
26175-71-3,
SCHEMBL1246493,
3-hydrazinocarbonyl-benzoic acid,
QPUVFEMYORGPAE-UHFFFAOYSA-N,
ZINC75848480,
DB-086589,
1,3-Benzenedicarboxylic acid, 1-hydrazide,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.053492g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.16g/mol |
| Monoisotopic Mass | 180.053492g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number