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Home > Nitro Compounds > 114439-87-1
114439-87-1 | 2-Propen-1-one, 3-(4-methoxyphenyl)-1-[2-(nitrooxy)phenyl]-, (E)- (9CI)
CAS No: 114439-87-1 Catalog No: AG000EDV MDL No:
Product Description
Catalog Number:
AG000EDV
Chemical Name:
2-Propen-1-one, 3-(4-methoxyphenyl)-1-[2-(nitrooxy)phenyl]-, (E)- (9CI)
CAS Number:
114439-87-1
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
[2-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl] nitrate
InChI:
InChI=1S/C16H13NO5/c1-21-13-9-6-12(7-10-13)8-11-15(18)14-4-2-3-5-16(14)22-17(19)20/h2-11H,1H3
InChI Key:
HJJFPYNFQBWFQT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/C(=O)c1ccccc1O[N+](=O)[O-]
Properties
Complexity:
409
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:
3.8
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