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Home > Nitro Compounds > 42443-21-0
42443-21-0 | methyl (2E)-3-(4-nitrophenyl)-2-phenylacrylate
CAS No: 42443-21-0 Catalog No: AG00JH04 MDL No:MFCD03768441
Product Description
Catalog Number:
AG00JH04
Chemical Name:
methyl (2E)-3-(4-nitrophenyl)-2-phenylacrylate
CAS Number:
42443-21-0
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
MDL Number:
MFCD03768441
IUPAC Name:
methyl 3-(4-nitrophenyl)-2-phenylprop-2-enoate
InChI:
InChI=1S/C16H13NO4/c1-21-16(18)15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)17(19)20/h2-11H,1H3
InChI Key:
YKKWDCDQTMQFQI-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/c1ccc(cc1)[N+](=O)[O-])/c1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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