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120295-62-7 | 3-Buten-1-ol, 4-iodo-, (3Z)-
CAS No: 120295-62-7 Catalog No: AG008161 MDL No:
Product Description
Catalog Number:
AG008161
Chemical Name:
3-Buten-1-ol, 4-iodo-, (3Z)-
CAS Number:
120295-62-7
Molecular Formula:
C4H7IO
Molecular Weight:
198.0023
IUPAC Name:
4-iodobut-3-en-1-ol
InChI:
InChI=1S/C4H7IO/c5-3-1-2-4-6/h1,3,6H,2,4H2
InChI Key:
NUCSHAXRRBHADF-UHFFFAOYSA-N
SMILES:
OCC/C=C\I
Properties
Complexity:
42.8
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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