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100162-10-5 | Bicyclo[4.2.0]octa-2,4-diene-7-carboxylic acid
CAS No: 100162-10-5 Catalog No: AG00014U MDL No:
Product Description
Catalog Number:
AG00014U
Chemical Name:
Bicyclo[4.2.0]octa-2,4-diene-7-carboxylic acid
CAS Number:
100162-10-5
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
bicyclo[4.2.0]octa-2,4-diene-7-carboxylic acid
InChI:
InChI=1S/C9H10O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-4,6-8H,5H2,(H,10,11)
InChI Key:
GQEQGLUVVXGSFZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2C1C=CC=C2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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