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1822856-36-9 | Benzoic acid, 4-(3-isoxazolyl)-, ethyl ester
CAS No: 1822856-36-9 Catalog No: AG0023KC MDL No:
Product Description
Catalog Number:
AG0023KC
Chemical Name:
Benzoic acid, 4-(3-isoxazolyl)-, ethyl ester
CAS Number:
1822856-36-9
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
ethyl 4-(1,2-oxazol-3-yl)benzoate
InChI:
InChI=1S/C12H11NO3/c1-2-15-12(14)10-5-3-9(4-6-10)11-7-8-16-13-11/h3-8H,2H2,1H3
InChI Key:
AFGYXTQJGOYGTP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1ccon1
Properties
Complexity:
236
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:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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