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1003-52-7

1003-52-7 | 5-Oxazolecarbonitrile, 4-methyl-

CAS No: 1003-52-7 Catalog No: AG0001IG MDL No:MFCD01111976

Product Description

Catalog Number:
AG0001IG
Chemical Name:
5-Oxazolecarbonitrile, 4-methyl-
CAS Number:
1003-52-7
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD01111976
IUPAC Name:
4-methyl-1,3-oxazole-5-carbonitrile
InChI:
InChI=1S/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3
InChI Key:
JZSLPQXOLZCAME-UHFFFAOYSA-N
SMILES:
Cc1ncoc1C#N
EC Number:
213-709-7

Properties

Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.1g/mol
Monoisotopic Mass:
108.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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