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Home > Nitro Compounds > 61312-84-3
61312-84-3 | 4-Nitrobenzyl 3-oxobutanoate
CAS No: 61312-84-3 Catalog No: AG003BWK MDL No:MFCD00799237
Product Description
Catalog Number:
AG003BWK
Chemical Name:
4-Nitrobenzyl 3-oxobutanoate
CAS Number:
61312-84-3
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD00799237
IUPAC Name:
(4-nitrophenyl)methyl 3-oxobutanoate
InChI:
InChI=1S/C11H11NO5/c1-8(13)6-11(14)17-7-9-2-4-10(5-3-9)12(15)16/h2-5H,6-7H2,1H3
InChI Key:
KQPGVCMZXFBYMM-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
EC Number:
612-114-3
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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