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819850-15-2 | 4-Pyrimidinepropanoicacid, a-methyl-
CAS No: 819850-15-2 Catalog No: AG0054UL MDL No:MFCD06796205
Product Description
Catalog Number:
AG0054UL
Chemical Name:
4-Pyrimidinepropanoicacid, a-methyl-
CAS Number:
819850-15-2
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD06796205
IUPAC Name:
2-methyl-3-pyrimidin-4-ylpropanoic acid
InChI:
InChI=1S/C8H10N2O2/c1-6(8(11)12)4-7-2-3-9-5-10-7/h2-3,5-6H,4H2,1H3,(H,11,12)
InChI Key:
JHWIEAWILPSRMU-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccncn1)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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