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122936-54-3 | 5-Pyrimidineacetic acid, 2-(1,1-dimethylethyl)-
CAS No: 122936-54-3 Catalog No: AG000JSH MDL No:
Product Description
Catalog Number:
AG000JSH
Chemical Name:
5-Pyrimidineacetic acid, 2-(1,1-dimethylethyl)-
CAS Number:
122936-54-3
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
2-(2-tert-butylpyrimidin-5-yl)acetic acid
InChI:
InChI=1S/C10H14N2O2/c1-10(2,3)9-11-5-7(6-12-9)4-8(13)14/h5-6H,4H2,1-3H3,(H,13,14)
InChI Key:
OZQAMCDSVSENHJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cnc(nc1)C(C)(C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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