Home Other Building Blocks 2-(2,2-dimethyloxan-4-yl)acetic acid

2-(2,2-dimethyloxan-4-yl)acetic acid

CAS No.:
14390-07-9
Catalog Number:
AG01A6ZC
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A6ZC
Chemical Name:
2-(2,2-dimethyloxan-4-yl)acetic acid
CAS Number:
14390-07-9
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD19301348
IUPAC Name:
2-(2,2-dimethyloxan-4-yl)acetic acid
InChI:
InChI=1S/C9H16O3/c1-9(2)6-7(3-4-12-9)5-8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChI Key:
HVXMUCXKBKGMSF-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCOC(C1)(C)C
Properties
Complexity:
175  
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:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties