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745783-78-2 | (S)-(+)-2-Hexyl isocyanate, 97%
CAS No: 745783-78-2 Catalog No: AG003CGP MDL No:
Product Description
Catalog Number:
AG003CGP
Chemical Name:
(S)-(+)-2-Hexyl isocyanate, 97%
CAS Number:
745783-78-2
IUPAC Name:
(2S)-2-isocyanatohexane
InChI:
InChI=1S/C7H13NO/c1-3-4-5-7(2)8-6-9/h7H,3-5H2,1-2H3/t7-/m0/s1
InChI Key:
JNWLFMYCGXLVJQ-ZETCQYMHSA-N
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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