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102589-30-0 | Bicyclo[2.2.2]octa-2,5-diene-2-carboxylicacid
CAS No: 102589-30-0 Catalog No: AG0007V6 MDL No:
Product Description
Catalog Number:
AG0007V6
Chemical Name:
Bicyclo[2.2.2]octa-2,5-diene-2-carboxylicacid
CAS Number:
102589-30-0
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
bicyclo[2.2.2]octa-2,5-diene-2-carboxylic acid
InChI:
InChI=1S/C9H10O2/c10-9(11)8-5-6-1-3-7(8)4-2-6/h1,3,5-7H,2,4H2,(H,10,11)
InChI Key:
KHKYIHFNQHBFAM-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CC2CCC1C=C2
Properties
Complexity:
250
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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