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1463940-00-2 | 5-(methoxymethyl)-1,2-oxazole-3-carbonitrile
CAS No: 1463940-00-2 Catalog No: AG01BBFT MDL No:MFCD21706427
Product Description
Catalog Number:
AG01BBFT
Chemical Name:
5-(methoxymethyl)-1,2-oxazole-3-carbonitrile
CAS Number:
1463940-00-2
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD21706427
IUPAC Name:
5-(methoxymethyl)-1,2-oxazole-3-carbonitrile
InChI:
InChI=1S/C6H6N2O2/c1-9-4-6-2-5(3-7)8-10-6/h2H,4H2,1H3
InChI Key:
VBDPPMZFYTWIOZ-UHFFFAOYSA-N
SMILES:
COCc1cc(no1)C#N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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