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Home > Nitro Compounds > 144203-13-4
144203-13-4 | 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,4-dinitrophenyl ester, (E)- (9CI)
CAS No: 144203-13-4 Catalog No: AG001J42 MDL No:
Product Description
Catalog Number:
AG001J42
Chemical Name:
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,4-dinitrophenyl ester, (E)- (9CI)
CAS Number:
144203-13-4
Molecular Formula:
C15H10N2O7
Molecular Weight:
330.2491
IUPAC Name:
(2,4-dinitrophenyl) 3-(4-hydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C15H10N2O7/c18-12-5-1-10(2-6-12)3-8-15(19)24-14-7-4-11(16(20)21)9-13(14)17(22)23/h1-9,18H
InChI Key:
ULLIMVGRMDQXDB-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C/c1ccc(cc1)O
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.252g/mol
Monoisotopic Mass:
330.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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