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88931-73-1 | 2-Hexenoic acid, 6-iodo-3-methyl-, 1,1-dimethylethyl ester
CAS No: 88931-73-1 Catalog No: AG00480M MDL No:
Product Description
Catalog Number:
AG00480M
Chemical Name:
2-Hexenoic acid, 6-iodo-3-methyl-, 1,1-dimethylethyl ester
CAS Number:
88931-73-1
Molecular Formula:
C11H19IO2
Molecular Weight:
310.1718
IUPAC Name:
tert-butyl 6-iodo-3-methylhex-2-enoate
InChI:
InChI=1S/C11H19IO2/c1-9(6-5-7-12)8-10(13)14-11(2,3)4/h8H,5-7H2,1-4H3
InChI Key:
VGLDFNJSRQTDKO-UHFFFAOYSA-N
SMILES:
ICCCC(=CC(=O)OC(C)(C)C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.175g/mol
Monoisotopic Mass:
310.043g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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