Home Other Building Blocks ethyl 2-(dihydroxy-1,3,5-triazin-2-yl)acetate

ethyl 2-(dihydroxy-1,3,5-triazin-2-yl)acetate

CAS No.:
89854-10-4
Catalog Number:
AG01BVUB
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
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Product Description
Catalog Number:
AG01BVUB
Chemical Name:
ethyl 2-(dihydroxy-1,3,5-triazin-2-yl)acetate
CAS Number:
89854-10-4
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD30486614
IUPAC Name:
ethyl 2-(4,6-dioxo-1H-1,3,5-triazin-2-yl)acetate
InChI:
InChI=1S/C7H9N3O4/c1-2-14-5(11)3-4-8-6(12)10-7(13)9-4/h2-3H2,1H3,(H2,8,9,10,12,13)
InChI Key:
QNUYNQIIYRUTLW-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nc(O)nc(n1)O
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties