Home Other Building Blocks 2-{2,9-dioxaspiro[5.5]undecan-3-yl}acetic acid

2-{2,9-dioxaspiro[5.5]undecan-3-yl}acetic acid

CAS No.:
2090711-64-9
Catalog Number:
AG01BIE0
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
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Product Description
Catalog Number:
AG01BIE0
Chemical Name:
2-{2,9-dioxaspiro[5.5]undecan-3-yl}acetic acid
CAS Number:
2090711-64-9
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
MDL Number:
MFCD30734203
IUPAC Name:
2-(2,9-dioxaspiro[5.5]undecan-3-yl)acetic acid
InChI:
InChI=1S/C11H18O4/c12-10(13)7-9-1-2-11(8-15-9)3-5-14-6-4-11/h9H,1-8H2,(H,12,13)
InChI Key:
JXSFVFCLQZFQPF-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCC2(CO1)CCOCC2
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties