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Home > Nitro Compounds > 159533-74-1
159533-74-1 | 2-Propenenitrile, 3-(2-methoxy-5-nitrophenyl)-, (Z)- (9CI)
CAS No: 159533-74-1 Catalog No: AG001R50 MDL No:
Product Description
Catalog Number:
AG001R50
Chemical Name:
2-Propenenitrile, 3-(2-methoxy-5-nitrophenyl)-, (Z)- (9CI)
CAS Number:
159533-74-1
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
3-(2-methoxy-5-nitrophenyl)prop-2-enenitrile
InChI:
InChI=1S/C10H8N2O3/c1-15-10-5-4-9(12(13)14)7-8(10)3-2-6-11/h2-5,7H,1H3
InChI Key:
WRYVKQJYEGHCKB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(/C=C\C#N)c(cc1)OC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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