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1412957-89-1 | 2-methyl-6-(thiophen-3-yl)pyrimidin-4-ol
CAS No: 1412957-89-1 Catalog No: AG01FMM0 MDL No:MFCD22837112
Product Description
Catalog Number:
AG01FMM0
Chemical Name:
2-methyl-6-(thiophen-3-yl)pyrimidin-4-ol
CAS Number:
1412957-89-1
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD22837112
IUPAC Name:
2-methyl-4-thiophen-3-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H8N2OS/c1-6-10-8(4-9(12)11-6)7-2-3-13-5-7/h2-5H,1H3,(H,10,11,12)
InChI Key:
NNNMJJVYAMIBRD-UHFFFAOYSA-N
SMILES:
Oc1nc(C)nc(c1)c1cscc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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