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68289-74-7

68289-74-7 | 2H-Azirine-2-carboxaldehyde

CAS No: 68289-74-7 Catalog No: AG005XEA MDL No:

Product Description

Catalog Number:
AG005XEA
Chemical Name:
2H-Azirine-2-carboxaldehyde
CAS Number:
68289-74-7
Molecular Formula:
C3H3NO
Molecular Weight:
69.0620
IUPAC Name:
2H-azirine-2-carbaldehyde
InChI:
InChI=1S/C3H3NO/c5-2-3-1-4-3/h1-3H
InChI Key:
QLWOSVRPNVSMEM-UHFFFAOYSA-N
SMILES:
O=CC1C=N1

Properties

Complexity:
77  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
69.021g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
69.063g/mol
Monoisotopic Mass:
69.021g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

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