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1007873-66-6 | 4-Oxazolecarboxylic acid, 2-methyl-5-(3-methylphenyl)-
CAS No: 1007873-66-6 Catalog No: AG0002VV MDL No:
Product Description
Catalog Number:
AG0002VV
Chemical Name:
4-Oxazolecarboxylic acid, 2-methyl-5-(3-methylphenyl)-
CAS Number:
1007873-66-6
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C12H11NO3/c1-7-4-3-5-9(6-7)11-10(12(14)15)13-8(2)16-11/h3-6H,1-2H3,(H,14,15)
InChI Key:
OMCWOZYMSYZUTD-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1oc(nc1C(=O)O)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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