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34450-60-7 | 2-Butenoic acid, 3-iodo-, (2Z)-
CAS No: 34450-60-7 Catalog No: AG00CROK MDL No:
Product Description
Catalog Number:
AG00CROK
Chemical Name:
2-Butenoic acid, 3-iodo-, (2Z)-
CAS Number:
34450-60-7
Molecular Formula:
C4H5IO2
Molecular Weight:
211.9858
IUPAC Name:
(Z)-3-iodobut-2-enoic acid
InChI:
InChI=1S/C4H5IO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)/b3-2-
InChI Key:
CSDFWNXJFJAWAM-IHWYPQMZSA-N
SMILES:
C/C(=C/C(=O)O)/I
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
211.933g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.986g/mol
Monoisotopic Mass:
211.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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