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70460-35-4 | 4h-1-benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-3-hydroxy-
CAS No: 70460-35-4 Catalog No: AG005IVZ MDL No:
Product Description
Catalog Number:
AG005IVZ
Chemical Name:
4h-1-benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-3-hydroxy-
CAS Number:
70460-35-4
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
IUPAC Name:
2-(2,6-dimethoxyphenyl)-3-hydroxychromen-4-one
InChI:
InChI=1S/C17H14O5/c1-20-12-8-5-9-13(21-2)14(12)17-16(19)15(18)10-6-3-4-7-11(10)22-17/h3-9,19H,1-2H3
InChI Key:
IFPLPADYPTUMCU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1c1oc2ccccc2c(=O)c1O)OC
NSC Number:
78635
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.294g/mol
Monoisotopic Mass:
298.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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