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141034-72-2 | 2-Propen-1-one, 1,3-bis(2,3,4-trihydroxyphenyl)-, (E)- (9CI)
CAS No: 141034-72-2 Catalog No: AG001FRK MDL No:
Product Description
Catalog Number:
AG001FRK
Chemical Name:
2-Propen-1-one, 1,3-bis(2,3,4-trihydroxyphenyl)-, (E)- (9CI)
CAS Number:
141034-72-2
Molecular Formula:
C15H12O7
Molecular Weight:
304.2516
IUPAC Name:
1,3-bis(2,3,4-trihydroxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H12O7/c16-9(8-3-6-11(18)15(22)13(8)20)4-1-7-2-5-10(17)14(21)12(7)19/h1-6,17-22H
InChI Key:
UXBWOIQNLSJBJI-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1O)O)/C=C/C(=O)c1ccc(c(c1O)O)O
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
304.254g/mol
Monoisotopic Mass:
304.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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