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79970-58-4 | 2-Buten-1-ol, 2-iodo-, (Z)-
CAS No: 79970-58-4 Catalog No: AG005EU9 MDL No:
Product Description
Catalog Number:
AG005EU9
Chemical Name:
2-Buten-1-ol, 2-iodo-, (Z)-
CAS Number:
79970-58-4
Molecular Formula:
C4H7IO
Molecular Weight:
198.0023
IUPAC Name:
2-iodobut-2-en-1-ol
InChI:
InChI=1S/C4H7IO/c1-2-4(5)3-6/h2,6H,3H2,1H3
InChI Key:
DDLMQQZOGHHQBV-UHFFFAOYSA-N
SMILES:
C/C=C(/CO)\I
Properties
Complexity:
58.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.954g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.003g/mol
Monoisotopic Mass:
197.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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