Home Other Building Blocks 2-(oxan-4-yl)butanoic acid

2-(oxan-4-yl)butanoic acid

CAS No.:
1195340-63-6
Catalog Number:
AG01CAES
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01CAES
Chemical Name:
2-(oxan-4-yl)butanoic acid
CAS Number:
1195340-63-6
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD20646402
IUPAC Name:
2-(oxan-4-yl)butanoic acid
InChI:
InChI=1S/C9H16O3/c1-2-8(9(10)11)7-3-5-12-6-4-7/h7-8H,2-6H2,1H3,(H,10,11)
InChI Key:
KMHHJXMKVVRSHP-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)C1CCOCC1
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties