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

5-methyl-6-oxaspiro[2.5]octane-1-carboxylic acid

CAS No.:
1409024-84-5
Catalog Number:
AG01A6EO
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
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Product Description
Catalog Number:
AG01A6EO
Chemical Name:
5-methyl-6-oxaspiro[2.5]octane-1-carboxylic acid
CAS Number:
1409024-84-5
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD19422529
IUPAC Name:
5-methyl-6-oxaspiro[2.5]octane-2-carboxylic acid
InChI:
InChI=1S/C9H14O3/c1-6-4-9(2-3-12-6)5-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChI Key:
DOXNJAUSMFCCSE-UHFFFAOYSA-N
SMILES:
CC1OCCC2(C1)CC2C(=O)O
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties