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29548-74-1 | 2-Propenal, 3-hydroxy-2-iodo-
CAS No: 29548-74-1 Catalog No: AG002YPQ MDL No:
Product Description
Catalog Number:
AG002YPQ
Chemical Name:
2-Propenal, 3-hydroxy-2-iodo-
CAS Number:
29548-74-1
Molecular Formula:
C3H3IO2
Molecular Weight:
197.9592
IUPAC Name:
3-hydroxy-2-iodoprop-2-enal
InChI:
InChI=1S/C3H3IO2/c4-3(1-5)2-6/h1-2,5H
InChI Key:
AABQFIRVGUSLBR-UHFFFAOYSA-N
SMILES:
OC=C(C=O)I
Properties
Complexity:
76.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.918g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.959g/mol
Monoisotopic Mass:
197.918g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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