Benzene, (1-isocyanatopropyl)-, (S)-


Chemical Name: Benzene, (1-isocyanatopropyl)-, (S)-
CAS Number: 164033-12-9
Product Number: AG001ULB(AGN-PC-0Q8IT3)
Synonyms:
MDL No:
Molecular Formula: C10H11NO
Molecular Weight: 161.2004

Identification/Properties


Computed Properties
Molecular Weight:
161.204g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
161.084g/mol
Monoisotopic Mass:
161.084g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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