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147590-73-6 | 4H-1-Benzopyran-4-one, 3-methoxy-2,7-dimethyl-
CAS No: 147590-73-6 Catalog No: AG001EZQ MDL No:
Product Description
Catalog Number:
AG001EZQ
Chemical Name:
4H-1-Benzopyran-4-one, 3-methoxy-2,7-dimethyl-
CAS Number:
147590-73-6
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
3-methoxy-2,7-dimethylchromen-4-one
InChI:
InChI=1S/C12H12O3/c1-7-4-5-9-10(6-7)15-8(2)12(14-3)11(9)13/h4-6H,1-3H3
InChI Key:
DFHXXMIEKMRRSY-UHFFFAOYSA-N
SMILES:
COc1c(C)oc2c(c1=O)ccc(c2)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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