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150853-99-9 | 4H-1-Benzopyran-4-one, 2-[4,5-dihydroxy-2-(3-methyl-2-buten-1-yl)phenyl]-5,6-dihydroxy-3-methoxy-
CAS No: 150853-99-9 Catalog No: AG001MW9 MDL No:
Product Description
Catalog Number:
AG001MW9
Chemical Name:
4H-1-Benzopyran-4-one, 2-[4,5-dihydroxy-2-(3-methyl-2-buten-1-yl)phenyl]-5,6-dihydroxy-3-methoxy-
CAS Number:
150853-99-9
Molecular Formula:
C21H20O7
Molecular Weight:
384.3793
IUPAC Name:
2-[4,5-dihydroxy-2-(3-methylbuta-1,3-dienyl)phenyl]-5,6-dihydroxy-3-methoxychromen-4-one
InChI:
InChI=1S/C21H18O7/c1-10(2)4-5-11-8-14(23)15(24)9-12(11)20-21(27-3)19(26)17-16(28-20)7-6-13(22)18(17)25/h4-9,22-25H,1H2,2-3H3
InChI Key:
VRZAKSFJNYJYJJ-UHFFFAOYSA-N
SMILES:
COc1c(oc2c(c1=O)c(O)c(cc2)O)c1cc(O)c(cc1CC=C(C)C)O
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.105g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
382.368g/mol
Monoisotopic Mass:
382.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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