Home Other Building Blocks 3-(5-methyloxolan-2-yl)propanoic acid, Mixture of diastereomers

3-(5-methyloxolan-2-yl)propanoic acid, Mixture of diastereomers

CAS No.:
64935-53-1
Catalog Number:
AG019S56
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG019S56
Chemical Name:
3-(5-methyloxolan-2-yl)propanoic acid, Mixture of diastereomers
CAS Number:
64935-53-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD20621152
IUPAC Name:
3-(5-methyloxolan-2-yl)propanoic acid
InChI:
InChI=1S/C8H14O3/c1-6-2-3-7(11-6)4-5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChI Key:
SNNKEQXXSTZBPS-UHFFFAOYSA-N
SMILES:
CC1CCC(O1)CCC(=O)O
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties