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141249-37-8 | 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3,5,7-trimethyl-
CAS No: 141249-37-8 Catalog No: AG001G5P MDL No:
Product Description
Catalog Number:
AG001G5P
Chemical Name:
1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3,5,7-trimethyl-
CAS Number:
141249-37-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
8-hydroxy-3,5,7-trimethyl-3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C12H14O3/c1-6-4-7(2)11(13)10-9(6)5-8(3)15-12(10)14/h4,8,13H,5H2,1-3H3
InChI Key:
RUANKMKZMDHEOS-UHFFFAOYSA-N
SMILES:
CC1OC(=O)c2c(C1)c(C)cc(c2O)C
Properties
Complexity:
264
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:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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