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1568-96-3 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-phenyl-, hydrochloride (1:1)
CAS No: 1568-96-3 Catalog No: AG001P0S MDL No:
Product Description
Catalog Number:
AG001P0S
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-phenyl-, hydrochloride (1:1)
CAS Number:
1568-96-3
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
IUPAC Name:
4,4-dimethyl-2-phenyl-5H-1,3-oxazole;hydrochloride
InChI:
InChI=1S/C11H13NO.ClH/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H
InChI Key:
MNOHUVSZSDPEKO-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1ccccc1.Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.689g/mol
Monoisotopic Mass:
211.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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