Home Carboxys 5,5-dimethyl-6-oxaspiro[2.5]octane-1-carboxylic acid

5,5-dimethyl-6-oxaspiro[2.5]octane-1-carboxylic acid

CAS No.:
1406908-37-9
Catalog Number:
AG01AUTS
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
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Product Description
Catalog Number:
AG01AUTS
Chemical Name:
5,5-dimethyl-6-oxaspiro[2.5]octane-1-carboxylic acid
CAS Number:
1406908-37-9
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD19653581
IUPAC Name:
5,5-dimethyl-6-oxaspiro[2.5]octane-2-carboxylic acid
InChI:
InChI=1S/C10H16O3/c1-9(2)6-10(3-4-13-9)5-7(10)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChI Key:
UBXDJATULWHIRT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC21CCOC(C2)(C)C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties