Home Carboxys bicyclo[5.1.0]octane-4-carboxylic acid

bicyclo[5.1.0]octane-4-carboxylic acid

CAS No.:
1485470-80-1
Catalog Number:
AG01BU4C
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
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Product Description
Catalog Number:
AG01BU4C
Chemical Name:
bicyclo[5.1.0]octane-4-carboxylic acid
CAS Number:
1485470-80-1
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD24512727
IUPAC Name:
bicyclo[5.1.0]octane-4-carboxylic acid
InChI:
InChI=1S/C9H14O2/c10-9(11)6-1-3-7-5-8(7)4-2-6/h6-8H,1-5H2,(H,10,11)
InChI Key:
SYZCVZHKNRHROQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC2C(CC1)C2
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties