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1622069-62-8 | methyl {[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]carbamoyl}formate
CAS No: 1622069-62-8 Catalog No: AG00IZQ5 MDL No:MFCD28122606
Product Description
Catalog Number:
AG00IZQ5
Chemical Name:
methyl {[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]carbamoyl}formate
CAS Number:
1622069-62-8
Molecular Formula:
C13H12N2O5
Molecular Weight:
276.2448
MDL Number:
MFCD28122606
IUPAC Name:
methyl 2-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]amino]-2-oxoacetate
InChI:
InChI=1S/C13H12N2O5/c1-18-9-5-3-4-8(6-9)10-7-11(20-15-10)14-12(16)13(17)19-2/h3-7H,1-2H3,(H,14,16)
InChI Key:
HOGJRRCBRMXDGA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1noc(c1)NC(=O)C(=O)OC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.248g/mol
Monoisotopic Mass:
276.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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