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6955-29-9 | 1-Decanol, 10-iodo-,1-(N-methylcarbamate)
CAS No: 6955-29-9 Catalog No: AG006ATJ MDL No:
Product Description
Catalog Number:
AG006ATJ
Chemical Name:
1-Decanol, 10-iodo-,1-(N-methylcarbamate)
CAS Number:
6955-29-9
Molecular Formula:
C12H24INO2
Molecular Weight:
341.2289
IUPAC Name:
10-iododecyl N-methylcarbamate
InChI:
InChI=1S/C12H24INO2/c1-14-12(15)16-11-9-7-5-3-2-4-6-8-10-13/h2-11H2,1H3,(H,14,15)
InChI Key:
XRRZQENELMJQJV-UHFFFAOYSA-N
SMILES:
ICCCCCCCCCCOC(=O)NC
NSC Number:
21237
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.233g/mol
Monoisotopic Mass:
341.085g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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