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29460-93-3 | Pyrazine, 2-(1-methylpropyl)-
CAS No: 29460-93-3 Catalog No: AG000LJO MDL No:MFCD02684323
Product Description
Catalog Number:
AG000LJO
Chemical Name:
Pyrazine, 2-(1-methylpropyl)-
CAS Number:
29460-93-3
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD02684323
IUPAC Name:
2-butan-2-ylpyrazine
InChI:
InChI=1S/C8H12N2/c1-3-7(2)8-6-9-4-5-10-8/h4-7H,3H2,1-2H3
InChI Key:
NFFQZEXYZVZKNN-UHFFFAOYSA-N
SMILES:
CC(c1cnccn1)CC
Properties
Complexity:
93.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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