Home Carboxys tricyclo[3.2.1.0,2,4]octane-6-carboxylic acid

tricyclo[3.2.1.0,2,4]octane-6-carboxylic acid

CAS No.:
2059975-65-2
Catalog Number:
AG01C0CA
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
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Product Description
Catalog Number:
AG01C0CA
Chemical Name:
tricyclo[3.2.1.0,2,4]octane-6-carboxylic acid
CAS Number:
2059975-65-2
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD30497923
IUPAC Name:
tricyclo[3.2.1.02,4]octane-6-carboxylic acid
InChI:
InChI=1S/C9H12O2/c10-9(11)8-2-4-1-6(8)7-3-5(4)7/h4-8H,1-3H2,(H,10,11)
InChI Key:
VHPSMBLOFPORJW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2CC1C1C2C1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties