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1259959-43-7 | Benzeneacetic acid, α-amino-4-hydroxy-3-methoxy-5-nitro-
CAS No: 1259959-43-7 Catalog No: AG000QN9 MDL No:
Product Description
Catalog Number:
AG000QN9
Chemical Name:
Benzeneacetic acid, α-amino-4-hydroxy-3-methoxy-5-nitro-
CAS Number:
1259959-43-7
Molecular Formula:
C9H10N2O6
Molecular Weight:
242.1855
IUPAC Name:
2-amino-2-(4-hydroxy-3-methoxy-5-nitrophenyl)acetic acid
InChI:
InChI=1S/C9H10N2O6/c1-17-6-3-4(7(10)9(13)14)2-5(8(6)12)11(15)16/h2-3,7,12H,10H2,1H3,(H,13,14)
InChI Key:
IMVTYNWRCKFQLQ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)[N+](=O)[O-])C(C(=O)O)N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.187g/mol
Monoisotopic Mass:
242.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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