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20321-73-7 | 4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-2,2-dimethyl-
CAS No: 20321-73-7 Catalog No: AG0028QI MDL No:MFCD00068549
Product Description
Catalog Number:
AG0028QI
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-2,2-dimethyl-
CAS Number:
20321-73-7
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD00068549
IUPAC Name:
7-methoxy-2,2-dimethyl-3H-chromen-4-one
InChI:
InChI=1S/C12H14O3/c1-12(2)7-10(13)9-5-4-8(14-3)6-11(9)15-12/h4-6H,7H2,1-3H3
InChI Key:
QXKXYXNEOUCMIY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OC(CC2=O)(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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