Home Other Building Blocks Carbonochloridic acid, 3-butyn-1-yl ester

Carbonochloridic acid, 3-butyn-1-yl ester

CAS No.:
190774-49-3
Catalog Number:
AG002ESJ
Molecular Formula:
C5H5ClO2
Molecular Weight:
132.5450
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Product Description
Catalog Number:
AG002ESJ
Chemical Name:
Carbonochloridic acid, 3-butyn-1-yl ester
CAS Number:
190774-49-3
Molecular Formula:
C5H5ClO2
Molecular Weight:
132.5450
IUPAC Name:
but-3-ynyl carbonochloridate
InChI:
InChI=1S/C5H5ClO2/c1-2-3-4-8-5(6)7/h1H,3-4H2
InChI Key:
SFGWUXNQJVLABT-UHFFFAOYSA-N
SMILES:
ClC(=O)OCCC#C
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.998g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.543g/mol
Monoisotopic Mass:
131.998g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties