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154822-65-8 | 3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole
CAS No: 154822-65-8 Catalog No: AG00HYA3 MDL No:MFCD20267673
Product Description
Catalog Number:
AG00HYA3
Chemical Name:
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole
CAS Number:
154822-65-8
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD20267673
IUPAC Name:
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole
InChI:
InChI=1S/C12H13NO/c1-8-4-6-11(7-5-8)12-9(2)13-14-10(12)3/h4-7H,1-3H3
InChI Key:
CBPUZXDGLGAVDM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1c(C)noc1C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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