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4813-02-9

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Basic Information
CAS No.: 4813-02-9
Name: 4-Pyridinecarboxylicacid,methylenehydrazide(9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 4813-02-9 (4-Pyridinecarboxylicacid,methylenehydrazide(9CI))
Formula: C7H7N3O
Molecular Weight: 149.152
Synonyms: 4-Pyridinecarboxylicacid, methylenehydrazide (9CI);Isonicotinic acid, methylenehydrazide(6CI,7CI,8CI);NSC 141142;
Density: 1.17 g/cm3
PSA: 54.35000
LogP: 0.81790
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Specification

The CAS register number of 4-Pyridinecarboxylicacid, 2-methylenehydrazide is 4813-02-9. It also can be called as 4-Pyridinecarboxylicacid, methylenehydrazide (9CI) and the systematic name about this chemical is N'-methylidenepyridine-4-carbohydrazide. The molecular formula about this chemical is C7H7N3O and the molecular weight is 149.15208. It belongs to the following product category which includes Amide.

Physical properties about 4-Pyridinecarboxylicacid, 2-methylenehydrazide are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): 0.87; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 2.69; (5)ACD/BCF (pH 7.4): 2.71; (6)ACD/KOC (pH 5.5): 70.46; (7)ACD/KOC (pH 7.4): 71.02; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 45.56 Å2; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 42.08 cm3; (14)Molar Volume: 127.1 cm3; (15)Polarizability: 16.68x10-24cm3; (16)Surface Tension: 43.8 dyne/cm; (17)Density: 1.17 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N\N=C)c1ccncc1
(2)InChI: InChI=1/C7H7N3O/c1-8-10-7(11)6-2-4-9-5-3-6/h2-5H,1H2,(H,10,11)
(3)InChIKey: ZBUGKLFQZNDYHC-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H7N3O/c1-8-10-7(11)6-2-4-9-5-3-6/h2-5H,1H2,(H,10,11)
(5)Std. InChIKey: ZBUGKLFQZNDYHC-UHFFFAOYSA-N