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Home Halogens Propanoic acid, 2-chloro-, methyl ester

Propanoic acid, 2-chloro-, methyl ester

CAS No.:
17639-93-9
Catalog Number:
AG0024NO
Molecular Formula:
C4H7ClO2
Molecular Weight:
122.5502
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Product Description
Catalog Number:
AG0024NO
Chemical Name:
Propanoic acid, 2-chloro-, methyl ester
CAS Number:
17639-93-9
Molecular Formula:
C4H7ClO2
Molecular Weight:
122.5502
MDL Number:
MFCD00000863
IUPAC Name:
methyl 2-chloropropanoate
InChI:
InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3
InChI Key:
JLEJCNOTNLZCHQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cl)C
EC Number:
241-624-5
NSC Number:
70983
UN Number:
2933
Properties
Complexity:
72.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.013g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.548g/mol
Monoisotopic Mass:
122.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Fractionation of volatile constituents from curcuma rhizome by preparative gas chromatography. Journal of automated methods & management in chemistry 20110101
Opposite signs of capacitive microsensor signals upon exposure to the enantiomers of methyl propionate compounds. Angewandte Chemie (International ed. in English) 20080101
Properties