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28860-80-2 | Bicyclo[6.1.0]non-2-ene-9-carboxylic acid
CAS No: 28860-80-2 Catalog No: AG002WVS MDL No:
Product Description
Catalog Number:
AG002WVS
Chemical Name:
Bicyclo[6.1.0]non-2-ene-9-carboxylic acid
CAS Number:
28860-80-2
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
bicyclo[6.1.0]non-2-ene-9-carboxylic acid
InChI:
InChI=1S/C10H14O2/c11-10(12)9-7-5-3-1-2-4-6-8(7)9/h3,5,7-9H,1-2,4,6H2,(H,11,12)
InChI Key:
IVLLSPWXSARWTH-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C1CCCCC=C2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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