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1194375-38-6 | 4-Pyrimidineacetic acid, 2-amino-, ethyl ester
CAS No: 1194375-38-6 Catalog No: AG000IS0 MDL No:MFCD11877954
Product Description
Catalog Number:
AG000IS0
Chemical Name:
4-Pyrimidineacetic acid, 2-amino-, ethyl ester
CAS Number:
1194375-38-6
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD11877954
IUPAC Name:
ethyl 2-(2-aminopyrimidin-4-yl)acetate
InChI:
InChI=1S/C8H11N3O2/c1-2-13-7(12)5-6-3-4-10-8(9)11-6/h3-4H,2,5H2,1H3,(H2,9,10,11)
InChI Key:
BAOXHPPKUAJHEM-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccnc(n1)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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