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88931-72-0 | 2-Hexenoic acid, 6-iodo-, 1,1-dimethylethyl ester
CAS No: 88931-72-0 Catalog No: AG0048V1 MDL No:
Product Description
Catalog Number:
AG0048V1
Chemical Name:
2-Hexenoic acid, 6-iodo-, 1,1-dimethylethyl ester
CAS Number:
88931-72-0
Molecular Formula:
C10H17IO2
Molecular Weight:
296.1453
IUPAC Name:
tert-butyl 6-iodohex-2-enoate
InChI:
InChI=1S/C10H17IO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3
InChI Key:
YJNYSQQTBIFKND-UHFFFAOYSA-N
SMILES:
ICCCC=CC(=O)OC(C)(C)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.148g/mol
Monoisotopic Mass:
296.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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