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869303-31-1

869303-31-1 | 2-Propenoic acid, 2-methyl-, (2-iodophenyl)methyl ester

CAS No: 869303-31-1 Catalog No: AG004I55 MDL No:

Product Description

Catalog Number:
AG004I55
Chemical Name:
2-Propenoic acid, 2-methyl-, (2-iodophenyl)methyl ester
CAS Number:
869303-31-1
Molecular Formula:
C11H11IO2
Molecular Weight:
302.1083
IUPAC Name:
(2-iodophenyl)methyl 2-methylprop-2-enoate
InChI:
InChI=1S/C11H11IO2/c1-8(2)11(13)14-7-9-5-3-4-6-10(9)12/h3-6H,1,7H2,2H3
InChI Key:
JCYONYJAQDSRJM-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCc1ccccc1I

Properties

Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.98g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.111g/mol
Monoisotopic Mass:
301.98g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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