Home Halogens 3-(2-chloroethyl)oxolane-3-carboxylic acid

3-(2-chloroethyl)oxolane-3-carboxylic acid

CAS No.:
1866638-98-3
Catalog Number:
AG01CABV
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
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Product Description
Catalog Number:
AG01CABV
Chemical Name:
3-(2-chloroethyl)oxolane-3-carboxylic acid
CAS Number:
1866638-98-3
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
MDL Number:
MFCD31457163
IUPAC Name:
3-(2-chloroethyl)oxolane-3-carboxylic acid
InChI:
InChI=1S/C7H11ClO3/c8-3-1-7(6(9)10)2-4-11-5-7/h1-5H2,(H,9,10)
InChI Key:
TWPAXYNFVDWGSO-UHFFFAOYSA-N
SMILES:
ClCCC1(COCC1)C(=O)O
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.612g/mol
Monoisotopic Mass:
178.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties