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131747-32-5 | 2-Pyridinemethanol, 4-nitro-, 2-acetate
CAS No: 131747-32-5 Catalog No: AG000ZNF MDL No:MFCD17169848
Product Description
Catalog Number:
AG000ZNF
Chemical Name:
2-Pyridinemethanol, 4-nitro-, 2-acetate
CAS Number:
131747-32-5
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD17169848
IUPAC Name:
(4-nitropyridin-2-yl)methyl acetate
InChI:
InChI=1S/C8H8N2O4/c1-6(11)14-5-7-4-8(10(12)13)2-3-9-7/h2-4H,5H2,1H3
InChI Key:
ZMMYZZKCVSFJJI-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1nccc(c1)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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