Home Carboxys 2-ethyloxolane-3-carboxylic acid, Mixture of diastereomers

2-ethyloxolane-3-carboxylic acid, Mixture of diastereomers

CAS No.:
153756-61-7
Catalog Number:
AG01B7IG
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
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Product Description
Catalog Number:
AG01B7IG
Chemical Name:
2-ethyloxolane-3-carboxylic acid, Mixture of diastereomers
CAS Number:
153756-61-7
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD21863628
IUPAC Name:
2-ethyloxolane-3-carboxylic acid
InChI:
InChI=1S/C7H12O3/c1-2-6-5(7(8)9)3-4-10-6/h5-6H,2-4H2,1H3,(H,8,9)
InChI Key:
HFPFPHAYXNXEFW-UHFFFAOYSA-N
SMILES:
CCC1OCCC1C(=O)O
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties