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Home > Nitro Compounds > 89023-01-8
89023-01-8 | 2-Propenoic acid, 3-(4-methoxyphenyl)-, 4-nitrophenyl ester, (E)-
CAS No: 89023-01-8 Catalog No: AG0042S1 MDL No:
Product Description
Catalog Number:
AG0042S1
Chemical Name:
2-Propenoic acid, 3-(4-methoxyphenyl)-, 4-nitrophenyl ester, (E)-
CAS Number:
89023-01-8
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
(4-nitrophenyl) 3-(4-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C16H13NO5/c1-21-14-7-2-12(3-8-14)4-11-16(18)22-15-9-5-13(6-10-15)17(19)20/h2-11H,1H3
InChI Key:
YXRNMWCADUELTD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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