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1240606-58-9 | 4-Pyrimidineacetic acid, ethyl ester
CAS No: 1240606-58-9 Catalog No: AG000LI5 MDL No:MFCD14706131
Product Description
Catalog Number:
AG000LI5
Chemical Name:
4-Pyrimidineacetic acid, ethyl ester
CAS Number:
1240606-58-9
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD14706131
IUPAC Name:
ethyl 2-pyrimidin-4-ylacetate
InChI:
InChI=1S/C8H10N2O2/c1-2-12-8(11)5-7-3-4-9-6-10-7/h3-4,6H,2,5H2,1H3
InChI Key:
MYZVJNQHRQQRRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccncn1
Properties
Complexity:
150
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:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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