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86513-62-4 | (1s,2r,3r,4r)-1,2,3,4-tetrahydrotetraphene-1,2,3,4-tetrol
CAS No: 86513-62-4 Catalog No: AG004Q4P MDL No:
Product Description
Catalog Number:
AG004Q4P
Chemical Name:
(1s,2r,3r,4r)-1,2,3,4-tetrahydrotetraphene-1,2,3,4-tetrol
CAS Number:
86513-62-4
Molecular Formula:
C18H16O4
Molecular Weight:
296.3172
IUPAC Name:
(1S,2R,3R,4R)-1,2,3,4-tetrahydrobenzo[a]anthracene-1,2,3,4-tetrol
InChI:
InChI=1S/C18H16O4/c19-15-12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)16(20)18(22)17(15)21/h1-8,15-22H/t15-,16+,17-,18-/m1/s1
InChI Key:
OBPNVPPKXVIGQS-XMTFNYHQSA-N
SMILES:
O[C@H]1[C@H](O)[C@H](O)c2c([C@@H]1O)c1cc3ccccc3cc1cc2
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
296.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
296.322g/mol
Monoisotopic Mass:
296.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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