Home Carboxys 3-ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

3-ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

CAS No.:
523990-83-2
Catalog Number:
AG00J941
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
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Product Description
Catalog Number:
AG00J941
Chemical Name:
3-ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
CAS Number:
523990-83-2
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD03488778
IUPAC Name:
3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylic acid
InChI:
InChI=1S/C11H10N2O4/c1-2-13-9(14)7-4-3-6(10(15)16)5-8(7)12-11(13)17/h3-5H,2H2,1H3,(H,12,17)(H,15,16)
InChI Key:
OHJOFBNVZGMMRO-UHFFFAOYSA-N
SMILES:
CCn1c(=O)[nH]c2c(c1=O)ccc(c2)C(=O)O
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties