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7237-29-8 | DIMETHYL 2-CINNAMYL-2-(2-IODOVINYL)PROPANEDIOATE
CAS No: 7237-29-8 Catalog No: AG00677P MDL No:
Product Description
Catalog Number:
AG00677P
Chemical Name:
DIMETHYL 2-CINNAMYL-2-(2-IODOVINYL)PROPANEDIOATE
CAS Number:
7237-29-8
Molecular Formula:
C16H17IO4
Molecular Weight:
400.2082
IUPAC Name:
dimethyl 2-(2-iodoethenyl)-2-(3-phenylprop-2-enyl)propanedioate
InChI:
InChI=1S/C16H17IO4/c1-20-14(18)16(11-12-17,15(19)21-2)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3
InChI Key:
MYVNMSQVOPOHDD-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)(C=CI)CC=Cc1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.017g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.212g/mol
Monoisotopic Mass:
400.017g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.9
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