Home Carboxys 2,2-dimethyl-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid

2,2-dimethyl-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid

CAS No.:
1955497-85-4
Catalog Number:
AG01C5S2
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
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Product Description
Catalog Number:
AG01C5S2
Chemical Name:
2,2-dimethyl-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
CAS Number:
1955497-85-4
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD30180392
IUPAC Name:
2,2-dimethyl-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
InChI:
InChI=1S/C8H12O3/c1-7(2)8(6(9)10)3-5(8)4-11-7/h5H,3-4H2,1-2H3,(H,9,10)
InChI Key:
AZHIDHXSMGJYQW-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC1COC2(C)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties