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2044702-71-6 | 3-Isoxazolecarboxylic acid, 5-[3-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-, methyl ester
CAS No: 2044702-71-6 Catalog No: AG0029IK MDL No:
Product Description
Catalog Number:
AG0029IK
Chemical Name:
3-Isoxazolecarboxylic acid, 5-[3-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-, methyl ester
CAS Number:
2044702-71-6
Molecular Formula:
C16H18N2O5
Molecular Weight:
318.3245
IUPAC Name:
methyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C16H18N2O5/c1-16(2,3)22-15(20)17-11-7-5-6-10(8-11)13-9-12(18-23-13)14(19)21-4/h5-9H,1-4H3,(H,17,20)
InChI Key:
ALHKQYPJGBKZDS-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1cccc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.329g/mol
Monoisotopic Mass:
318.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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