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88736-52-1 | Butanoic acid, 3-chloro-, 2-propynyl ester
CAS No: 88736-52-1 Catalog No: AG004FWC MDL No:
Product Description
Catalog Number:
AG004FWC
Chemical Name:
Butanoic acid, 3-chloro-, 2-propynyl ester
CAS Number:
88736-52-1
Molecular Formula:
C7H9ClO2
Molecular Weight:
160.5982
IUPAC Name:
prop-2-ynyl 3-chlorobutanoate
InChI:
InChI=1S/C7H9ClO2/c1-3-4-10-7(9)5-6(2)8/h1,6H,4-5H2,2H3
InChI Key:
SXWQUSUURHRLLH-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)CC(Cl)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.029g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.597g/mol
Monoisotopic Mass:
160.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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