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88931-70-8

88931-70-8 | 2-Heptenoic acid, 7-iodo-, 1,1-dimethylethyl ester

CAS No: 88931-70-8 Catalog No: AG00480N MDL No:

Product Description

Catalog Number:
AG00480N
Chemical Name:
2-Heptenoic acid, 7-iodo-, 1,1-dimethylethyl ester
CAS Number:
88931-70-8
Molecular Formula:
C11H19IO2
Molecular Weight:
310.1718
IUPAC Name:
tert-butyl 7-iodohept-2-enoate
InChI:
InChI=1S/C11H19IO2/c1-11(2,3)14-10(13)8-6-4-5-7-9-12/h6,8H,4-5,7,9H2,1-3H3
InChI Key:
ARWXNESIYZCUGX-UHFFFAOYSA-N
SMILES:
ICCCCC=CC(=O)OC(C)(C)C

Properties

Complexity:
192  
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:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.2  

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