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102356-75-2 | Methanone, [5-(2-hydroxyethyl)-3-isoxazolyl]phenyl-
CAS No: 102356-75-2 Catalog No: AG000793 MDL No:
Product Description
Catalog Number:
AG000793
Chemical Name:
Methanone, [5-(2-hydroxyethyl)-3-isoxazolyl]phenyl-
CAS Number:
102356-75-2
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
[5-(2-hydroxyethyl)-1,2-oxazol-3-yl]-phenylmethanone
InChI:
InChI=1S/C12H11NO3/c14-7-6-10-8-11(13-16-10)12(15)9-4-2-1-3-5-9/h1-5,8,14H,6-7H2
InChI Key:
WTYJVAXQHRCESC-UHFFFAOYSA-N
SMILES:
OCCc1onc(c1)C(=O)c1ccccc1
Properties
Complexity:
238
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:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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