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146431-63-2 | 2-Pentanone, 5-(2-pyrazinyl)-
CAS No: 146431-63-2 Catalog No: AG001E11 MDL No:
Product Description
Catalog Number:
AG001E11
Chemical Name:
2-Pentanone, 5-(2-pyrazinyl)-
CAS Number:
146431-63-2
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
5-pyrazin-2-ylpentan-2-one
InChI:
InChI=1S/C9H12N2O/c1-8(12)3-2-4-9-7-10-5-6-11-9/h5-7H,2-4H2,1H3
InChI Key:
YNBQRBXWHPEDTG-UHFFFAOYSA-N
SMILES:
CC(=O)CCCc1cnccn1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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