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

4-(oxan-4-yl)butanoic acid

CAS No.:
1011803-87-4
Catalog Number:
AG01BHNW
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BHNW
Chemical Name:
4-(oxan-4-yl)butanoic acid
CAS Number:
1011803-87-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD19401986
IUPAC Name:
4-(oxan-4-yl)butanoic acid
InChI:
InChI=1S/C9H16O3/c10-9(11)3-1-2-8-4-6-12-7-5-8/h8H,1-7H2,(H,10,11)
InChI Key:
BFVBUNZUVYRMSB-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC1CCOCC1
Properties
Complexity:
139  
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:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties