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126767-83-7 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2,8-dimethyl-
CAS No: 126767-83-7 Catalog No: AG000T7T MDL No:
Product Description
Catalog Number:
AG000T7T
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2,8-dimethyl-
CAS Number:
126767-83-7
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
InChI:
InChI=1S/C12H12O5/c1-5-4-7(13)8-10(15)12(16-3)9(14)6(2)11(8)17-5/h4,14-15H,1-3H3
InChI Key:
PRGZBQOFSHAQEK-UHFFFAOYSA-N
SMILES:
COc1c(O)c(C)c2c(c1O)c(=O)cc(o2)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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