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1341939-27-2 | 5-Oxaspiro[2.5]octane-1-carboxylic acid
CAS No: 1341939-27-2 Catalog No: AG01FCBI MDL No:
Product Description
Catalog Number:
AG01FCBI
Chemical Name:
5-Oxaspiro[2.5]octane-1-carboxylic acid
CAS Number:
1341939-27-2
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
5-oxaspiro[2.5]octane-2-carboxylic acid
InChI:
InChI=1S/C8H12O3/c9-7(10)6-4-8(6)2-1-3-11-5-8/h6H,1-5H2,(H,9,10)
InChI Key:
FGXIPZDQLVSHRH-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC21CCCOC2
Properties
Complexity:
190
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:
0.3
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