Home Carboxys 2,4-dimethyloxane-4-carboxylic acid

2,4-dimethyloxane-4-carboxylic acid

CAS No.:
2060044-77-9
Catalog Number:
AG01BZ7Z
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01BZ7Z
Chemical Name:
2,4-dimethyloxane-4-carboxylic acid
CAS Number:
2060044-77-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD30487900
IUPAC Name:
2,4-dimethyloxane-4-carboxylic acid
InChI:
InChI=1S/C8H14O3/c1-6-5-8(2,7(9)10)3-4-11-6/h6H,3-5H2,1-2H3,(H,9,10)
InChI Key:
ZXTWVDRYEJZPOW-UHFFFAOYSA-N
SMILES:
CC1OCCC(C1)(C)C(=O)O
Properties
Complexity:
167  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties