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Home > Nitro Compounds > 671775-75-0
671775-75-0 | 2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(4-nitrophenyl)-
CAS No: 671775-75-0 Catalog No: AG005QHN MDL No:
Product Description
Catalog Number:
AG005QHN
Chemical Name:
2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(4-nitrophenyl)-
CAS Number:
671775-75-0
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
IUPAC Name:
3-(3,4-dihydroxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H11NO5/c17-13(11-3-5-12(6-4-11)16(20)21)7-1-10-2-8-14(18)15(19)9-10/h1-9,18-19H
InChI Key:
RLTLXMGEFXLIFE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C=Cc1ccc(c(c1)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:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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