Home Carboxys 2-(propan-2-yl)oxolane-3-carboxylic acid

2-(propan-2-yl)oxolane-3-carboxylic acid

CAS No.:
1490063-59-6
Catalog Number:
AG01BE8T
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01BE8T
Chemical Name:
2-(propan-2-yl)oxolane-3-carboxylic acid
CAS Number:
1490063-59-6
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD21692172
IUPAC Name:
2-propan-2-yloxolane-3-carboxylic acid
InChI:
InChI=1S/C8H14O3/c1-5(2)7-6(8(9)10)3-4-11-7/h5-7H,3-4H2,1-2H3,(H,9,10)
InChI Key:
UPQVLGYJZWGVBV-UHFFFAOYSA-N
SMILES:
CC(C1OCCC1C(=O)O)C
Properties
Complexity:
153  
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:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties