Home Carboxys 2,2-Dimethyltetrahydro-2h-pyran-4-carboxylic acid

2,2-Dimethyltetrahydro-2h-pyran-4-carboxylic acid

CAS No.:
52916-16-2
Catalog Number:
AG00DD5A
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00DD5A
Chemical Name:
2,2-Dimethyltetrahydro-2h-pyran-4-carboxylic acid
CAS Number:
52916-16-2
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD00778596
IUPAC Name:
2,2-dimethyloxane-4-carboxylic acid
InChI:
InChI=1S/C8H14O3/c1-8(2)5-6(7(9)10)3-4-11-8/h6H,3-5H2,1-2H3,(H,9,10)
InChI Key:
GRROPKFZKZZTQE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCOC(C1)(C)C
Properties
Complexity:
163  
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:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties