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1159976-37-0 | 2-Quinazolinecarboxylic acid, 6-methyl-, ethyl ester
CAS No: 1159976-37-0 Catalog No: AG000HET MDL No:MFCD12026445
Product Description
Catalog Number:
AG000HET
Chemical Name:
2-Quinazolinecarboxylic acid, 6-methyl-, ethyl ester
CAS Number:
1159976-37-0
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD12026445
IUPAC Name:
ethyl 6-methylquinazoline-2-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-3-16-12(15)11-13-7-9-6-8(2)4-5-10(9)14-11/h4-7H,3H2,1-2H3
InChI Key:
FVFIWISFAUSWRI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc2c(n1)ccc(c2)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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