Home Carboxys tert-butyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-carboxylate

tert-butyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-carboxylate

CAS No.:
402848-96-8
Catalog Number:
AG01BFVU
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BFVU
Chemical Name:
tert-butyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-carboxylate
CAS Number:
402848-96-8
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
MDL Number:
MFCD24468572
IUPAC Name:
tert-butyl 2,4-dioxopyrimidine-1-carboxylate
InChI:
InChI=1S/C9H12N2O4/c1-9(2,3)15-8(14)11-5-4-6(12)10-7(11)13/h4-5H,1-3H3,(H,10,12,13)
InChI Key:
RIWSXLGWFYNTFB-UHFFFAOYSA-N
SMILES:
O=c1ccn(c(=O)[nH]1)C(=O)OC(C)(C)C
Properties
Complexity:
341  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties