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Home Other Building Blocks Propane, 2-isocyanato-

Propane, 2-isocyanato-

CAS No.:
1795-48-8
Catalog Number:
AG00271V
Molecular Formula:
C4H7NO
Molecular Weight:
85.1045
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Product Description
Catalog Number:
AG00271V
Chemical Name:
Propane, 2-isocyanato-
CAS Number:
1795-48-8
Molecular Formula:
C4H7NO
Molecular Weight:
85.1045
MDL Number:
MFCD00002037
IUPAC Name:
2-isocyanatopropane
InChI:
InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3
InChI Key:
GSLTVFIVJMCNBH-UHFFFAOYSA-N
SMILES:
CC(N=C=O)C
EC Number:
217-276-5
UN Number:
2483
Properties
Complexity:
71.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
85.053g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
85.106g/mol
Monoisotopic Mass:
85.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
3-Isopropyl-2-(4-methoxy-phen-oxy)-1-benzo-furo[3,2-d]pyrimidin-4(3H)-one. Acta crystallographica. Section E, Structure reports online 20091101
3-Isopropyl-2-p-tol-yloxy-5,6,7,8-tetra-hydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one. Acta crystallographica. Section E, Structure reports online 20090501
Hafnium carbamates and ureates: new class of precursors for low-temperature growth of HfO2 thin films. Chemical communications (Cambridge, England) 20090421
2-(4-Bromo-phen-oxy)-3-isopropyl-5,6,7,8-tetra-hydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one. Acta crystallographica. Section E, Structure reports online 20081201
Enantiomeric separation of alcohols and amines on a proline chiral stationary phase by gas chromatography. Journal of chromatography. A 20080516
Synthesis and characterization of a novel resorcinarene-based stationary phase bearing polar headgroups for use in reversed-phase high-performance liquid chromatography. Journal of chromatography. A 20051118
Substitution of hydroxybiaryls via directed ortho-lithiation of N-silylated O-aryl N-isopropylcarbamates. The Journal of organic chemistry 20050902
Properties