Home Carboxys 5-oxaspiro[3.4]octane-2-carboxylic acid

5-oxaspiro[3.4]octane-2-carboxylic acid

CAS No.:
1374658-88-4
Catalog Number:
AG01EKUN
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
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Product Description
Catalog Number:
AG01EKUN
Chemical Name:
5-oxaspiro[3.4]octane-2-carboxylic acid
CAS Number:
1374658-88-4
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
5-oxaspiro[3.4]octane-2-carboxylic acid
InChI:
InChI=1S/C8H12O3/c9-7(10)6-4-8(5-6)2-1-3-11-8/h6H,1-5H2,(H,9,10)
InChI Key:
IKQYNEIRTGISNQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2(C1)CCCO2
Properties
Complexity:
182  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties