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64493-06-7 | 5-Heptenoic acid, 7-iodo-, methyl ester, (Z)-
CAS No: 64493-06-7 Catalog No: AG00H6V3 MDL No:
Product Description
Catalog Number:
AG00H6V3
Chemical Name:
5-Heptenoic acid, 7-iodo-, methyl ester, (Z)-
CAS Number:
64493-06-7
Molecular Formula:
C8H13IO2
Molecular Weight:
268.0921
IUPAC Name:
methyl 7-iodohept-5-enoate
InChI:
InChI=1S/C8H13IO2/c1-11-8(10)6-4-2-3-5-7-9/h3,5H,2,4,6-7H2,1H3
InChI Key:
VJSYRMFXFUQTOH-UHFFFAOYSA-N
SMILES:
IC/C=C\CCCC(=O)OC
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.094g/mol
Monoisotopic Mass:
267.996g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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