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14273-88-2

14273-88-2 | Pentanoic acid,5-iodo-, methyl ester

CAS No: 14273-88-2 Catalog No: AG006XJ6 MDL No:

Product Description

Catalog Number:
AG006XJ6
Chemical Name:
Pentanoic acid,5-iodo-, methyl ester
CAS Number:
14273-88-2
Molecular Formula:
C6H11IO2
Molecular Weight:
242.0548
IUPAC Name:
methyl 5-iodopentanoate
InChI:
InChI=1S/C6H11IO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3
InChI Key:
LTRHTLMOPUYPRM-UHFFFAOYSA-N
SMILES:
ICCCCC(=O)OC
EC Number:
604-306-0
NSC Number:
339626

Properties

Complexity:
83.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.98g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.056g/mol
Monoisotopic Mass:
241.98g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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