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89588-88-5 | 2-Propenoic acid, 3-phenyl-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS No: 89588-88-5 Catalog No: AG007J7S MDL No:
Product Description
Catalog Number:
AG007J7S
Chemical Name:
2-Propenoic acid, 3-phenyl-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS Number:
89588-88-5
Molecular Formula:
C14H13IO3
Molecular Weight:
356.1557
IUPAC Name:
2-(3-iodoprop-2-ynoxy)ethyl 3-phenylprop-2-enoate
InChI:
InChI=1S/C14H13IO3/c15-9-4-10-17-11-12-18-14(16)8-7-13-5-2-1-3-6-13/h1-3,5-8H,10-12H2
InChI Key:
RBRQJZZLYHOSLT-UHFFFAOYSA-N
SMILES:
IC#CCOCCOC(=O)C=Cc1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.991g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.159g/mol
Monoisotopic Mass:
355.991g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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