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82049-32-9 | 7-methyl-9a,10-dihydrotetrapheno[10,9-b]oxirene-8,8a(8h)-diol
CAS No: 82049-32-9 Catalog No: AG004XIJ MDL No:
Product Description
Catalog Number:
AG004XIJ
Chemical Name:
7-methyl-9a,10-dihydrotetrapheno[10,9-b]oxirene-8,8a(8h)-diol
CAS Number:
82049-32-9
Molecular Formula:
C19H16O3
Molecular Weight:
292.3285
IUPAC Name:
2-methyl-6-oxapentacyclo[9.8.0.03,9.05,7.012,17]nonadeca-1(11),2,9,12,14,16,18-heptaene-4,5-diol
InChI:
InChI=1S/C19H16O3/c1-10-13-7-6-11-4-2-3-5-14(11)15(13)8-12-9-16-19(21,22-16)18(20)17(10)12/h2-8,16,18,20-21H,9H2,1H3
InChI Key:
AQPZTZPBJFEDOY-UHFFFAOYSA-N
SMILES:
OC1c2c(CC3C1(O)O3)cc1c(c2C)ccc2c1cccc2
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.334g/mol
Monoisotopic Mass:
292.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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