56957-32-5
4-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
Name
4-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
Formula
C10 H9 N3 O3
MolWeight
219.199
1Identification
【Name】
4-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD20227287
【English Synonyms】
【Formula】
C10 H9 N3 O3
【MolWeight】
219.199
【Inchi】
InChI=1S/C10H9N3O3/c11-8-5-9(14)13(12-8)7-3-1-6(2-4-7)10(15)16/h1-4H,5H2,(H2,11,12)(H,15,16)
【InChIKey】
InChIKey=VVEBDEHTEQZOAX-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)N2C(=O)CC(=N2)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID.cml
Quick Release
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Catalog No:AC15876 1G
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