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Home > Nitro Compounds > 79547-07-2
79547-07-2 | methyl 3-(o-nitrophenyl)pyruvate
CAS No: 79547-07-2 Catalog No: AG00GHIM MDL No:
Product Description
Catalog Number:
AG00GHIM
Chemical Name:
methyl 3-(o-nitrophenyl)pyruvate
CAS Number:
79547-07-2
IUPAC Name:
methyl 3-(2-nitrophenyl)-2-oxopropanoate
InChI:
InChI=1S/C10H9NO5/c1-16-10(13)9(12)6-7-4-2-3-5-8(7)11(14)15/h2-5H,6H2,1H3
InChI Key:
BJUFXOPELRQGNJ-UHFFFAOYSA-N
EC Number:
279-179-4
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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