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10017-79-5 | 1-Oxaspiro[4.5]decane-3-carboxylic acid, 8-(1-methylethyl)-2-oxo-
CAS No: 10017-79-5 Catalog No: AG00015K MDL No:
Product Description
Catalog Number:
AG00015K
Chemical Name:
1-Oxaspiro[4.5]decane-3-carboxylic acid, 8-(1-methylethyl)-2-oxo-
CAS Number:
10017-79-5
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
IUPAC Name:
2-oxo-8-propan-2-yl-1-oxaspiro[4.5]decane-3-carboxylic acid
InChI:
InChI=1S/C13H20O4/c1-8(2)9-3-5-13(6-4-9)7-10(11(14)15)12(16)17-13/h8-10H,3-7H2,1-2H3,(H,14,15)
InChI Key:
GXLWCZYOJUHZNA-UHFFFAOYSA-N
SMILES:
CC(C1CCC2(CC1)OC(=O)C(C2)C(=O)O)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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