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88760-76-3 | 3-Butenoic acid, 2-(iodomethyl)-, ethyl ester
CAS No: 88760-76-3 Catalog No: AG004B9C MDL No:
Product Description
Catalog Number:
AG004B9C
Chemical Name:
3-Butenoic acid, 2-(iodomethyl)-, ethyl ester
CAS Number:
88760-76-3
Molecular Formula:
C7H11IO2
Molecular Weight:
254.0655
IUPAC Name:
ethyl 2-(iodomethyl)but-3-enoate
InChI:
InChI=1S/C7H11IO2/c1-3-6(5-8)7(9)10-4-2/h3,6H,1,4-5H2,2H3
InChI Key:
LBHZGCCDJMAPES-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C=C)CI
Properties
Complexity:
123
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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