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115983-78-3

115983-78-3 | 2-Propenoyl isocyanate, 3-ethoxy-, (2E)-

CAS No: 115983-78-3 Catalog No: AG000HDM MDL No:

Product Description

Catalog Number:
AG000HDM
Chemical Name:
2-Propenoyl isocyanate, 3-ethoxy-, (2E)-
CAS Number:
115983-78-3
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
IUPAC Name:
3-ethoxyprop-2-enoyl isocyanate
InChI:
InChI=1S/C6H7NO3/c1-2-10-4-3-6(9)7-5-8/h3-4H,2H2,1H3
InChI Key:
SUHDJAXKVRGRJF-UHFFFAOYSA-N
SMILES:
CCO/C=C/C(=O)N=C=O

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.5  

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