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1234616-24-0 | 6-Quinazolinecarboxylic acid, methyl ester
CAS No: 1234616-24-0 Catalog No: AG000KMJ MDL No:MFCD00210168
Product Description
Catalog Number:
AG000KMJ
Chemical Name:
6-Quinazolinecarboxylic acid, methyl ester
CAS Number:
1234616-24-0
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00210168
IUPAC Name:
methyl quinazoline-6-carboxylate
InChI:
InChI=1S/C10H8N2O2/c1-14-10(13)7-2-3-9-8(4-7)5-11-6-12-9/h2-6H,1H3
InChI Key:
FIDDZFIGUIOGRU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)cncn2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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