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Home > Nitro Compounds > 353263-38-4
353263-38-4 | 3-(4-Methoxy-3-nitrophenyl)-3-oxopropanenitrile
CAS No: 353263-38-4 Catalog No: AG00JB5B MDL No:MFCD09745879
Product Description
Catalog Number:
AG00JB5B
Chemical Name:
3-(4-Methoxy-3-nitrophenyl)-3-oxopropanenitrile
CAS Number:
353263-38-4
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD09745879
IUPAC Name:
3-(4-methoxy-3-nitrophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H8N2O4/c1-16-10-3-2-7(9(13)4-5-11)6-8(10)12(14)15/h2-3,6H,4H2,1H3
InChI Key:
WMUSLUFSIIENJD-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(c(c1)[N+](=O)[O-])OC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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