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86799-77-1 | 2(1H)-Pyrazinone, 3,6-bis(1-methylethyl)-
CAS No: 86799-77-1 Catalog No: AG004JHF MDL No:
Product Description
Catalog Number:
AG004JHF
Chemical Name:
2(1H)-Pyrazinone, 3,6-bis(1-methylethyl)-
CAS Number:
86799-77-1
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
3,6-di(propan-2-yl)-1H-pyrazin-2-one
InChI:
InChI=1S/C10H16N2O/c1-6(2)8-5-11-9(7(3)4)10(13)12-8/h5-7H,1-4H3,(H,12,13)
InChI Key:
XQELNPFTJBJNDQ-UHFFFAOYSA-N
SMILES:
CC(c1cnc(c(=O)[nH]1)C(C)C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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