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1195242-67-1 | Bicyclo[4.2.0]octa-1,3,5,7-tetraene-3-carboxylic acid
CAS No: 1195242-67-1 Catalog No: AG000IXJ MDL No:
Product Description
Catalog Number:
AG000IXJ
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5,7-tetraene-3-carboxylic acid
CAS Number:
1195242-67-1
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
IUPAC Name:
bicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carboxylic acid
InChI:
InChI=1S/C9H6O2/c10-9(11)8-4-2-6-1-3-7(6)5-8/h1-5H,(H,10,11)
InChI Key:
SIAXQFQHOIZLKU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C=C2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.145g/mol
Monoisotopic Mass:
146.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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