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423775-09-1 | 2-Propenoic acid, 3-(3-iodophenyl)-, butyl ester, (2E)-
CAS No: 423775-09-1 Catalog No: AG0072IF MDL No:
Product Description
Catalog Number:
AG0072IF
Chemical Name:
2-Propenoic acid, 3-(3-iodophenyl)-, butyl ester, (2E)-
CAS Number:
423775-09-1
Molecular Formula:
C13H15IO2
Molecular Weight:
330.1615
IUPAC Name:
butyl 3-(3-iodophenyl)prop-2-enoate
InChI:
InChI=1S/C13H15IO2/c1-2-3-9-16-13(15)8-7-11-5-4-6-12(14)10-11/h4-8,10H,2-3,9H2,1H3
InChI Key:
YHRAWJRREIXFLQ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)/C=C/c1cccc(c1)I
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.165g/mol
Monoisotopic Mass:
330.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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