4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazin-1-yl]benzoic acid

4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazin-1-yl]benzoic acid

CAS: 105299-45-4

Formula: C13H10N2O3

SMILES: OC(=O)C1=CC=C(NN=C2C=CC(=O)C=C2)C=C1

IUPAC: 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazin-1-yl]benzoic acid

InChI: InChI=1S/C13H10N2O3/c16-12-7-5-11(6-8-12)15-14-10-3-1-9(2-4-10)13(17)18/h1-8,14H,(H,17,18)

Composition: C (64.46%), H (4.16%), N (11.56%), O (19.81%)

Molar Mass: 242.234

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	242.06914219
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XLEOLQBYKOFJPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.02
Topological Polar Surface Area	78.76
Polarizability	24.44
Ring Count	2
Rotatable Bond Count	3

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