Home Other Building Blocks 3-(oxolan-2-yl)butanoic acid

3-(oxolan-2-yl)butanoic acid

CAS No.:
250239-77-1
Catalog Number:
AG01B65A
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01B65A
Chemical Name:
3-(oxolan-2-yl)butanoic acid
CAS Number:
250239-77-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD00582435
IUPAC Name:
3-(oxolan-2-yl)butanoic acid
InChI:
InChI=1S/C8H14O3/c1-6(5-8(9)10)7-3-2-4-11-7/h6-7H,2-5H2,1H3,(H,9,10)
InChI Key:
BRDOSYLBBARPLO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C1CCCO1)C
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