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114607-41-9 | 4H-1-Benzopyran-4-one, 2-(3-hydroxyphenyl)-7,8-dimethoxy-
CAS No: 114607-41-9 Catalog No: AG000ETI MDL No:
Product Description
Catalog Number:
AG000ETI
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3-hydroxyphenyl)-7,8-dimethoxy-
CAS Number:
114607-41-9
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
IUPAC Name:
2-(3-hydroxyphenyl)-7,8-dimethoxychromen-4-one
InChI:
InChI=1S/C17H14O5/c1-20-14-7-6-12-13(19)9-15(22-16(12)17(14)21-2)10-4-3-5-11(18)8-10/h3-9,18H,1-2H3
InChI Key:
MDLMHUNSQBZPAM-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1oc(cc2=O)c1cccc(c1)O
UNII:
RKS7BK61EQ
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:
2.8
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