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89296-57-1 | Hexanoic acid, 2-butyl-, iodomethyl ester
CAS No: 89296-57-1 Catalog No: AG003ZVD MDL No:
Product Description
Catalog Number:
AG003ZVD
Chemical Name:
Hexanoic acid, 2-butyl-, iodomethyl ester
CAS Number:
89296-57-1
Molecular Formula:
C11H21IO2
Molecular Weight:
312.1877
IUPAC Name:
iodomethyl 2-butylhexanoate
InChI:
InChI=1S/C11H21IO2/c1-3-5-7-10(8-6-4-2)11(13)14-9-12/h10H,3-9H2,1-2H3
InChI Key:
OMBCCTLOAOWOKT-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OCI)CCCC
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.191g/mol
Monoisotopic Mass:
312.059g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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