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15766-71-9 | 1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dimethoxy-3-methyl-, (3R)-
CAS No: 15766-71-9 Catalog No: AG001PM5 MDL No:
Product Description
Catalog Number:
AG001PM5
Chemical Name:
1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dimethoxy-3-methyl-, (3R)-
CAS Number:
15766-71-9
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
(3R)-6,8-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C12H14O4/c1-7-4-8-5-9(14-2)6-10(15-3)11(8)12(13)16-7/h5-7H,4H2,1-3H3/t7-/m1/s1
InChI Key:
XANBXQAFBJDNNB-SSDOTTSWSA-N
SMILES:
COc1cc2C[C@@H](C)OC(=O)c2c(c1)OC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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