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Home > Other Heterocycles > 75833-48-6
75833-48-6 | 3-HYDROXYBICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7,8-DIONE
CAS No: 75833-48-6 Catalog No: AG0059YN MDL No:
Product Description
Catalog Number:
AG0059YN
Chemical Name:
3-HYDROXYBICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7,8-DIONE
CAS Number:
75833-48-6
Molecular Formula:
C8H4O3
Molecular Weight:
148.1156
IUPAC Name:
3-hydroxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-dione
InChI:
InChI=1S/C8H4O3/c9-4-1-2-5-6(3-4)8(11)7(5)10/h1-3,9H
InChI Key:
DTOXGHBXEUSSFW-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(=O)c2=O
UNII:
MRJ3Q7I4P7
NSC Number:
369774
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.016g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.117g/mol
Monoisotopic Mass:
148.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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