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30888-05-2 | 1H-2-Benzopyran-1-one, 3,4-dihydro-3,8-dihydroxy-3-methyl-
CAS No: 30888-05-2 Catalog No: AG0031L5 MDL No:MFCD01718125
Product Description
Catalog Number:
AG0031L5
Chemical Name:
1H-2-Benzopyran-1-one, 3,4-dihydro-3,8-dihydroxy-3-methyl-
CAS Number:
30888-05-2
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD01718125
IUPAC Name:
3,8-dihydroxy-3-methyl-4H-isochromen-1-one
InChI:
InChI=1S/C10H10O4/c1-10(13)5-6-3-2-4-7(11)8(6)9(12)14-10/h2-4,11,13H,5H2,1H3
InChI Key:
SDGOMJUKDHSPPU-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(O)Cc2c1c(O)ccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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