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114042-57-8 | Cyclopent[a]indene-2,8-dione, 1,3,3a,8a-tetrahydro-3a,8a-dihydroxy-
CAS No: 114042-57-8 Catalog No: AG000ACZ MDL No:
Product Description
Catalog Number:
AG000ACZ
Chemical Name:
Cyclopent[a]indene-2,8-dione, 1,3,3a,8a-tetrahydro-3a,8a-dihydroxy-
CAS Number:
114042-57-8
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
3a,8b-dihydroxy-1,3-dihydrocyclopenta[a]indene-2,4-dione
InChI:
InChI=1S/C12H10O4/c13-7-5-11(15)9-4-2-1-3-8(9)10(14)12(11,16)6-7/h1-4,15-16H,5-6H2
InChI Key:
XEVCBNMUCXGONA-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(C1)(O)C(=O)c1c2cccc1)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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