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28621-80-9 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-[3-hydroxy-1-(4-nitrophenyl)butyl]-
CAS No: 28621-80-9 Catalog No: AG002VVH MDL No:
Product Description
Catalog Number:
AG002VVH
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-3-[3-hydroxy-1-(4-nitrophenyl)butyl]-
CAS Number:
28621-80-9
Molecular Formula:
C19H17NO6
Molecular Weight:
355.3414
IUPAC Name:
4-hydroxy-3-[3-hydroxy-1-(4-nitrophenyl)butyl]chromen-2-one
InChI:
InChI=1S/C19H17NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,11,15,21-22H,10H2,1H3
InChI Key:
AVCGNAHMLRZIDF-UHFFFAOYSA-N
SMILES:
CC(CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.106g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.346g/mol
Monoisotopic Mass:
355.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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