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140640-55-7 | Propanoic acid, 3-iodo-, 2-buten-1-yl ester
CAS No: 140640-55-7 Catalog No: AG001CMF MDL No:
Product Description
Catalog Number:
AG001CMF
Chemical Name:
Propanoic acid, 3-iodo-, 2-buten-1-yl ester
CAS Number:
140640-55-7
Molecular Formula:
C7H11IO2
Molecular Weight:
254.0655
IUPAC Name:
but-2-enyl 3-iodopropanoate
InChI:
InChI=1S/C7H11IO2/c1-2-3-6-10-7(9)4-5-8/h2-3H,4-6H2,1H3
InChI Key:
DCEMYIJMFROLEM-UHFFFAOYSA-N
SMILES:
CC=CCOC(=O)CCI
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.98g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.067g/mol
Monoisotopic Mass:
253.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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