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Home > Nitro Compounds > 880410-63-9
880410-63-9 | (2E)-3-(3-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS No: 880410-63-9 Catalog No: AG00JU4F MDL No:MFCD04499935
Product Description
Catalog Number:
AG00JU4F
Chemical Name:
(2E)-3-(3-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
880410-63-9
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD04499935
IUPAC Name:
(E)-3-(3-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO3/c1-12-4-2-5-13(10-12)8-9-16(18)14-6-3-7-15(11-14)17(19)20/h2-11H,1H3/b9-8+
InChI Key:
BGHVPNCRFANDMU-CMDGGOBGSA-N
SMILES:
Cc1cccc(c1)/C=C/C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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