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1375064-53-1 | 3-Isoxazolecarboxylic acid, 5-(1-methyl-1H-pyrrol-2-yl)-, methyl ester
CAS No: 1375064-53-1 Catalog No: AG0013F5 MDL No:MFCD22192341
Product Description
Catalog Number:
AG0013F5
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(1-methyl-1H-pyrrol-2-yl)-, methyl ester
CAS Number:
1375064-53-1
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD22192341
IUPAC Name:
methyl 5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C10H10N2O3/c1-12-5-3-4-8(12)9-6-7(11-15-9)10(13)14-2/h3-6H,1-2H3
InChI Key:
QOTQMCIMLRRIDB-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1cccn1C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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