Home Other Building Blocks ethyl 1,3-dimethylorotate

ethyl 1,3-dimethylorotate

CAS No.:
83175-02-4
Catalog Number:
AG01DDZT
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
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Product Description
Catalog Number:
AG01DDZT
Chemical Name:
ethyl 1,3-dimethylorotate
CAS Number:
83175-02-4
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
MDL Number:
MFCD09878209
IUPAC Name:
ethyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate
InChI:
InChI=1S/C9H12N2O4/c1-4-15-8(13)6-5-7(12)11(3)9(14)10(6)2/h5H,4H2,1-3H3
InChI Key:
PPASXNXFADOELD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)n(c(=O)n1C)C
NSC Number:
627062
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties