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652975-98-9 | 2-Propenoic acid, 3-iodo-, 2-propenyl ester, (2E)-
CAS No: 652975-98-9 Catalog No: AG006TNZ MDL No:
Product Description
Catalog Number:
AG006TNZ
Chemical Name:
2-Propenoic acid, 3-iodo-, 2-propenyl ester, (2E)-
CAS Number:
652975-98-9
Molecular Formula:
C6H7IO2
Molecular Weight:
238.0231
IUPAC Name:
prop-2-enyl 3-iodoprop-2-enoate
InChI:
InChI=1S/C6H7IO2/c1-2-5-9-6(8)3-4-7/h2-4H,1,5H2
InChI Key:
WGGRCAMYVSPHHU-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)/C=C/I
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.024g/mol
Monoisotopic Mass:
237.949g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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