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Home > Nitro Compounds > 89023-04-1
89023-04-1 | 2-Propenoic acid, 3-(4-butoxyphenyl)-, 4-nitrophenyl ester, (E)-
CAS No: 89023-04-1 Catalog No: AG0042RZ MDL No:
Product Description
Catalog Number:
AG0042RZ
Chemical Name:
2-Propenoic acid, 3-(4-butoxyphenyl)-, 4-nitrophenyl ester, (E)-
CAS Number:
89023-04-1
Molecular Formula:
C19H19NO5
Molecular Weight:
341.3579
IUPAC Name:
(4-nitrophenyl) 3-(4-butoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C19H19NO5/c1-2-3-14-24-17-9-4-15(5-10-17)6-13-19(21)25-18-11-7-16(8-12-18)20(22)23/h4-13H,2-3,14H2,1H3
InChI Key:
KBSCXNMYJFAXFY-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.363g/mol
Monoisotopic Mass:
341.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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