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13198-99-7 | 4H-1-Benzopyran-4-one, 3-hydroxy-7-methoxy-2-(4-methoxyphenyl)-
CAS No: 13198-99-7 Catalog No: AG00100F MDL No:MFCD00098910
Product Description
Catalog Number:
AG00100F
Chemical Name:
4H-1-Benzopyran-4-one, 3-hydroxy-7-methoxy-2-(4-methoxyphenyl)-
CAS Number:
13198-99-7
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
MDL Number:
MFCD00098910
IUPAC Name:
3-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)17-16(19)15(18)13-8-7-12(21-2)9-14(13)22-17/h3-9,19H,1-2H3
InChI Key:
IFHXSMSQHPVVSF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1oc2cc(OC)ccc2c(=O)c1O
NSC Number:
102029
Properties
Complexity:
450
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:
3.3
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