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Home > Nitro Compounds > 88956-31-4
88956-31-4 | 2-Propenoic acid, 3-[4-(pentyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS No: 88956-31-4 Catalog No: AG0047T5 MDL No:
Product Description
Catalog Number:
AG0047T5
Chemical Name:
2-Propenoic acid, 3-[4-(pentyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS Number:
88956-31-4
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
IUPAC Name:
(4-nitrophenyl) 3-(4-pentoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C20H21NO5/c1-2-3-4-15-25-18-10-5-16(6-11-18)7-14-20(22)26-19-12-8-17(9-13-19)21(23)24/h5-14H,2-4,15H2,1H3
InChI Key:
IXGUCWWJLYXTAD-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.39g/mol
Monoisotopic Mass:
355.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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