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82085-46-9 | 6-(hydroxymethyl)-11-methyl-1a,2,3,11c-tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol
CAS No: 82085-46-9 Catalog No: AG004X2P MDL No:
Product Description
Catalog Number:
AG004X2P
Chemical Name:
6-(hydroxymethyl)-11-methyl-1a,2,3,11c-tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol
CAS Number:
82085-46-9
Molecular Formula:
C20H18O4
Molecular Weight:
322.3545
IUPAC Name:
12-(hydroxymethyl)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
InChI:
InChI=1S/C20H18O4/c1-9-10-4-2-3-5-11(10)14(8-21)12-6-7-13-16(15(9)12)19-20(24-19)18(23)17(13)22/h2-7,17-23H,8H2,1H3
InChI Key:
AFDIRQUMTLDWDM-UHFFFAOYSA-N
SMILES:
OCc1c2ccc3c(c2c(c2c1cccc2)C)C1OC1C(C3O)O
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.36g/mol
Monoisotopic Mass:
322.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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