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1214328-73-0 | 2-(5-Nitropyridin-2-yl);acetic acid
CAS No: 1214328-73-0 Catalog No: AG0014SQ MDL No:MFCD13194546
Product Description
Catalog Number:
AG0014SQ
Chemical Name:
2-(5-Nitropyridin-2-yl);acetic acid
CAS Number:
1214328-73-0
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD13194546
IUPAC Name:
2-(5-nitropyridin-2-yl)acetic acid
InChI:
InChI=1S/C7H6N2O4/c10-7(11)3-5-1-2-6(4-8-5)9(12)13/h1-2,4H,3H2,(H,10,11)
InChI Key:
BAENMNORNKLBTB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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