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Home > Nitro Compounds > 62088-12-4
62088-12-4 | 4-(4-NITRO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
CAS No: 62088-12-4 Catalog No: AG00F5AB MDL No:MFCD03844424
Product Description
Catalog Number:
AG00F5AB
Chemical Name:
4-(4-NITRO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
CAS Number:
62088-12-4
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
MDL Number:
MFCD03844424
IUPAC Name:
ethyl 4-(4-nitrophenyl)-3-oxobutanoate
InChI:
InChI=1S/C12H13NO5/c1-2-18-12(15)8-11(14)7-9-3-5-10(6-4-9)13(16)17/h3-6H,2,7-8H2,1H3
InChI Key:
UUTYXRRHMODSGX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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