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Home > Nitro Compounds > 89023-03-0
89023-03-0 | 2-Propenoic acid, 3-(4-propoxyphenyl)-, 4-nitrophenyl ester, (E)-
CAS No: 89023-03-0 Catalog No: AG0042S0 MDL No:
Product Description
Catalog Number:
AG0042S0
Chemical Name:
2-Propenoic acid, 3-(4-propoxyphenyl)-, 4-nitrophenyl ester, (E)-
CAS Number:
89023-03-0
Molecular Formula:
C18H17NO5
Molecular Weight:
327.3313
IUPAC Name:
(4-nitrophenyl) 3-(4-propoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C18H17NO5/c1-2-13-23-16-8-3-14(4-9-16)5-12-18(20)24-17-10-6-15(7-11-17)19(21)22/h3-12H,2,13H2,1H3
InChI Key:
IEXVKZORZLUBKX-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.336g/mol
Monoisotopic Mass:
327.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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