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1260004-48-5 | Benzeneacetic acid, α-amino-4-methyl-3-nitro-
CAS No: 1260004-48-5 Catalog No: AG000QPJ MDL No:
Product Description
Catalog Number:
AG000QPJ
Chemical Name:
Benzeneacetic acid, α-amino-4-methyl-3-nitro-
CAS Number:
1260004-48-5
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
2-amino-2-(4-methyl-3-nitrophenyl)acetic acid
InChI:
InChI=1S/C9H10N2O4/c1-5-2-3-6(8(10)9(12)13)4-7(5)11(14)15/h2-4,8H,10H2,1H3,(H,12,13)
InChI Key:
CADHYKIGVGHPAN-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(c(c1)[N+](=O)[O-])C)N
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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