Home Other Building Blocks 2-{5-oxaspiro[3.4]octan-6-yl}acetic acid

2-{5-oxaspiro[3.4]octan-6-yl}acetic acid

CAS No.:
2092599-28-3
Catalog Number:
AG01BIGU
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
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Product Description
Catalog Number:
AG01BIGU
Chemical Name:
2-{5-oxaspiro[3.4]octan-6-yl}acetic acid
CAS Number:
2092599-28-3
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD30734280
IUPAC Name:
2-(5-oxaspiro[3.4]octan-6-yl)acetic acid
InChI:
InChI=1S/C9H14O3/c10-8(11)6-7-2-5-9(12-7)3-1-4-9/h7H,1-6H2,(H,10,11)
InChI Key:
MAWUMCVBJWHYSB-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCC2(O1)CCC2
Properties
Complexity:
196  
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:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties