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13054-44-9 | 2-Benzoxazolepropanoic acid, α-oxo-, ethyl ester
CAS No: 13054-44-9 Catalog No: AG000UM4 MDL No:
Product Description
Catalog Number:
AG000UM4
Chemical Name:
2-Benzoxazolepropanoic acid, α-oxo-, ethyl ester
CAS Number:
13054-44-9
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
ethyl 3-(1,3-benzoxazol-2-yl)-2-oxopropanoate
InChI:
InChI=1S/C12H11NO4/c1-2-16-12(15)9(14)7-11-13-8-5-3-4-6-10(8)17-11/h3-6H,2,7H2,1H3
InChI Key:
DHRXLBCXCVKHKO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Cc1nc2c(o1)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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