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124865-51-6 | Oxazole, 4,5-dihydro-2-(3-methoxyphenyl)-4,4-dimethyl-, hydrochloride (1:1)
CAS No: 124865-51-6 Catalog No: AG000MTP MDL No:
Product Description
Catalog Number:
AG000MTP
Chemical Name:
Oxazole, 4,5-dihydro-2-(3-methoxyphenyl)-4,4-dimethyl-, hydrochloride (1:1)
CAS Number:
124865-51-6
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
IUPAC Name:
2-(3-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c1-12(2)8-15-11(13-12)9-5-4-6-10(7-9)14-3;/h4-7H,8H2,1-3H3;1H
InChI Key:
GXKHSKBKXGMXHE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1=NC(CO1)(C)C.Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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