Home Other Building Blocks 3-(oxan-3-yl)propanoic acid

3-(oxan-3-yl)propanoic acid

CAS No.:
1342572-49-9
Catalog Number:
AG019TWH
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG019TWH
Chemical Name:
3-(oxan-3-yl)propanoic acid
CAS Number:
1342572-49-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD18877125
IUPAC Name:
3-(oxan-3-yl)propanoic acid
InChI:
InChI=1S/C8H14O3/c9-8(10)4-3-7-2-1-5-11-6-7/h7H,1-6H2,(H,9,10)
InChI Key:
RWPBWJMWHVFSEN-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1CCCOC1
Properties
Complexity:
133  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties