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88499-81-4 | 4(1H)-Pyrimidinone, 6-methyl-2-(4-pentynyl)-
CAS No: 88499-81-4 Catalog No: AG00495J MDL No:
Product Description
Catalog Number:
AG00495J
Chemical Name:
4(1H)-Pyrimidinone, 6-methyl-2-(4-pentynyl)-
CAS Number:
88499-81-4
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
4-methyl-2-pent-4-ynyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H12N2O/c1-3-4-5-6-9-11-8(2)7-10(13)12-9/h1,7H,4-6H2,2H3,(H,11,12,13)
InChI Key:
MHHQLXDLBPCBHW-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)nc([nH]1)CCCC#C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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