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Home > Other Heterocycles > 1005-18-1
1005-18-1 | Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 3-hydroxy-
CAS No: 1005-18-1 Catalog No: AG00025U MDL No:
Product Description
Catalog Number:
AG00025U
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 3-hydroxy-
CAS Number:
1005-18-1
Molecular Formula:
C8H6O2
Molecular Weight:
134.1320
IUPAC Name:
3-hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
InChI:
InChI=1S/C8H6O2/c9-6-1-2-7-5(3-6)4-8(7)10/h1-3,9H,4H2
InChI Key:
NVKNRPHSAXFOMB-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CC2=O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.037g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.134g/mol
Monoisotopic Mass:
134.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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