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13289-90-2 | 5H-Benzocycloheptene-5,9(6H)-dione, 7,8-dihydro-1,4-dihydroxy-
CAS No: 13289-90-2 Catalog No: AG0011CX MDL No:
Product Description
Catalog Number:
AG0011CX
Chemical Name:
5H-Benzocycloheptene-5,9(6H)-dione, 7,8-dihydro-1,4-dihydroxy-
CAS Number:
13289-90-2
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
1,4-dihydroxy-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
InChI:
InChI=1S/C11H10O4/c12-6-2-1-3-7(13)11-9(15)5-4-8(14)10(6)11/h4-5,14-15H,1-3H2
InChI Key:
OBEWSBMNHGZOOT-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)c2c1c(O)ccc2O
NSC Number:
105602
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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