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Basic Information
CAS No.: 51855-90-4
Name: Aniline oxalate
Molecular Structure:
Molecular Structure of 51855-90-4 (Aniline oxalate)
Formula: C8H9NO4
Molecular Weight: 276.292
Synonyms: aniline; oxalic acid;Benzenamine, ethanedioate;
EINECS: 257-475-4
Boiling Point: 184.4 °Cat760mmHg
Flash Point: 70 °C
PSA: 126.64000
LogP: 2.85560
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Chemistry

Molecule structure of Aniline oxalate (CAS NO.51855-90-4):

IUPAC Name: Aniline; oxalic acid 
Molecular Weight: 183.16136 g/mol
Molecular Formula: C8H9NO4 
Flash Point: 70 °C
Enthalpy of Vaporization: 42.44 kJ/mol
Boiling Point: 184.4 °C at 760 mmHg
Vapour Pressure: 0.733 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Exact Mass: 183.053158
MonoIsotopic Mass: 183.053158
Topological Polar Surface Area: 101
Heavy Atom Count: 13
Canonical SMILES: C1=CC=C(C=C1)N.C(=O)(C(=O)O)O
InChI: InChI=1S/C6H7N.C2H2O4/c7-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5H,7H2;(H,3,4)(H,5,6)
InChIKey: VQNRMLCRMNVBBP-UHFFFAOYSA-N
EINECS of Aniline oxalate (CAS NO.51855-90-4): 257-475-4

Specification

 Aniline oxalate (CAS NO.51855-90-4) is also named as Aniline ethanedioate (1:1) ; benzenamine, ethanedioate (1:1) ; Benzenamine, ethanedioate .