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131-63-5 | Benzoic acid, 2-(aminocarbonyl)-, ammonium salt (1:1)
CAS No: 131-63-5 Catalog No: AG000VBC MDL No:
Product Description
Catalog Number:
AG000VBC
Chemical Name:
Benzoic acid, 2-(aminocarbonyl)-, ammonium salt (1:1)
CAS Number:
131-63-5
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
azanium;2-carbamoylbenzoate
InChI:
InChI=1S/C8H7NO3.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H2,9,10)(H,11,12);1H3
InChI Key:
SARKQAUWTBDBIZ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccccc1C(=O)[O-].[NH4+]
EC Number:
205-033-6
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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