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1217-36-3 | 4H-1-Benzopyran-4-one, 5,7,8-trimethoxy-2-methyl-
CAS No: 1217-36-3 Catalog No: AG0015LL MDL No:
Product Description
Catalog Number:
AG0015LL
Chemical Name:
4H-1-Benzopyran-4-one, 5,7,8-trimethoxy-2-methyl-
CAS Number:
1217-36-3
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
IUPAC Name:
5,7,8-trimethoxy-2-methylchromen-4-one
InChI:
InChI=1S/C13H14O5/c1-7-5-8(14)11-9(15-2)6-10(16-3)12(17-4)13(11)18-7/h5-6H,1-4H3
InChI Key:
QSBDQGGAPMZFBF-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1OC)oc(cc2=O)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:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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