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82431-23-0 | 2-HYDROXY-4-METHYLBICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7,8-DIONE
CAS No: 82431-23-0 Catalog No: AG0052CS MDL No:
Product Description
Catalog Number:
AG0052CS
Chemical Name:
2-HYDROXY-4-METHYLBICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7,8-DIONE
CAS Number:
82431-23-0
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
IUPAC Name:
2-hydroxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7,8-dione
InChI:
InChI=1S/C9H6O3/c1-4-2-5-7(6(10)3-4)9(12)8(5)11/h2-3,10H,1H3
InChI Key:
GSRMOOXOENXWTH-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(c1)c(=O)c2=O
UNII:
OF5N1JME5K
NSC Number:
369773
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.144g/mol
Monoisotopic Mass:
162.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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