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7250-81-9 | 4-[(4-arsonophenyl)amino]-4-oxobutanoic acid
CAS No: 7250-81-9 Catalog No: AG005GX3 MDL No:
Product Description
Catalog Number:
AG005GX3
Chemical Name:
4-[(4-arsonophenyl)amino]-4-oxobutanoic acid
CAS Number:
7250-81-9
Molecular Formula:
C10H12AsNO6
Molecular Weight:
317.1270
IUPAC Name:
4-(4-arsonoanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C10H12AsNO6/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16,17)18/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,16,17,18)
InChI Key:
NCXGLCHXHAUCDV-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[As](=O)(O)O)CCC(=O)O
NSC Number:
30197
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.988g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
317.129g/mol
Monoisotopic Mass:
316.988g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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