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23085-05-4 | Bicyclo[3.2.1]octa-3,6-diene-2-carboxylic acid
CAS No: 23085-05-4 Catalog No: AG002M5Z MDL No:
Product Description
Catalog Number:
AG002M5Z
Chemical Name:
Bicyclo[3.2.1]octa-3,6-diene-2-carboxylic acid
CAS Number:
23085-05-4
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
bicyclo[3.2.1]octa-3,6-diene-2-carboxylic acid
InChI:
InChI=1S/C9H10O2/c10-9(11)8-4-2-6-1-3-7(8)5-6/h1-4,6-8H,5H2,(H,10,11)
InChI Key:
FUQXBIVRQRQWJQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1C=CC2CC1C=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:
1.6
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