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87894-90-4 | 2H-1-Benzopyran-3(4H)-one, 7-methoxy-2,2-dimethyl-
CAS No: 87894-90-4 Catalog No: AG004IJC MDL No:
Product Description
Catalog Number:
AG004IJC
Chemical Name:
2H-1-Benzopyran-3(4H)-one, 7-methoxy-2,2-dimethyl-
CAS Number:
87894-90-4
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
7-methoxy-2,2-dimethyl-4H-chromen-3-one
InChI:
InChI=1S/C12H14O3/c1-12(2)11(13)6-8-4-5-9(14-3)7-10(8)15-12/h4-5,7H,6H2,1-3H3
InChI Key:
CAWGCNJXAZHFSF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OC(C(=O)C2)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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