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77190-24-0 | 2-Propynoic acid, 3-iodo-, ethyl ester
CAS No: 77190-24-0 Catalog No: AG00557N MDL No:
Product Description
Catalog Number:
AG00557N
Chemical Name:
2-Propynoic acid, 3-iodo-, ethyl ester
CAS Number:
77190-24-0
Molecular Formula:
C5H5IO2
Molecular Weight:
223.9965
IUPAC Name:
ethyl 3-iodoprop-2-ynoate
InChI:
InChI=1S/C5H5IO2/c1-2-8-5(7)3-4-6/h2H2,1H3
InChI Key:
ONFCLMDQAGFOQB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#CI
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.933g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.997g/mol
Monoisotopic Mass:
223.933g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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