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496972-58-8 | Oxazole, 2,3-dihydro-3,4-dimethyl-5-phenyl-
CAS No: 496972-58-8 Catalog No: AG006YX2 MDL No:
Product Description
Catalog Number:
AG006YX2
Chemical Name:
Oxazole, 2,3-dihydro-3,4-dimethyl-5-phenyl-
CAS Number:
496972-58-8
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
3,4-dimethyl-5-phenyl-2H-1,3-oxazole
InChI:
InChI=1S/C11H13NO/c1-9-11(13-8-12(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI Key:
ZWBMFTJRWDGXFS-UHFFFAOYSA-N
SMILES:
CN1COC(=C1C)c1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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