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Home > Nitro Compounds > 20766-40-9
20766-40-9 | 3-Buten-2-one, 4-(2-nitrophenyl)-
CAS No: 20766-40-9 Catalog No: AG002J6F MDL No:
Product Description
Catalog Number:
AG002J6F
Chemical Name:
3-Buten-2-one, 4-(2-nitrophenyl)-
CAS Number:
20766-40-9
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
(E)-4-(2-nitrophenyl)but-3-en-2-one
InChI:
InChI=1S/C10H9NO3/c1-8(12)6-7-9-4-2-3-5-10(9)11(13)14/h2-7H,1H3/b7-6+
InChI Key:
FRPAGLRAZLFTGW-VOTSOKGWSA-N
SMILES:
CC(=O)C=Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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