Home Carboxys bicyclo[4.1.0]heptane-1-carboxylic acid

bicyclo[4.1.0]heptane-1-carboxylic acid

CAS No.:
96259-65-3
Catalog Number:
AG01C1NO
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
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Product Description
Catalog Number:
AG01C1NO
Chemical Name:
bicyclo[4.1.0]heptane-1-carboxylic acid
CAS Number:
96259-65-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD19230915
IUPAC Name:
bicyclo[4.1.0]heptane-1-carboxylic acid
InChI:
InChI=1S/C8H12O2/c9-7(10)8-4-2-1-3-6(8)5-8/h6H,1-5H2,(H,9,10)
InChI Key:
WAKHDNBPGJZLGE-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCCCC2C1
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties