Home Carboxys 2H-?Pyran-?4-?carboxylic acid, tetrahydro-?3,?3-?dimethyl-

2H-?Pyran-?4-?carboxylic acid, tetrahydro-?3,?3-?dimethyl-

CAS No.:
1780025-53-7
Catalog Number:
AG01DXOA
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01DXOA
Chemical Name:
2H-?Pyran-?4-?carboxylic acid, tetrahydro-?3,?3-?dimethyl-
CAS Number:
1780025-53-7
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD30803010
IUPAC Name:
3,3-dimethyloxane-4-carboxylic acid
InChI:
InChI=1S/C8H14O3/c1-8(2)5-11-4-3-6(8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChI Key:
PGXKELLNBXKENP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCOCC1(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:
0.9  
Properties