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5676-58-4 | 2,5-Dimethylbenzo[d]oxazole
CAS No: 5676-58-4 Catalog No: AG003B5I MDL No:MFCD00005773
Product Description
Catalog Number:
AG003B5I
Chemical Name:
2,5-Dimethylbenzo[d]oxazole
CAS Number:
5676-58-4
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00005773
IUPAC Name:
2,5-dimethyl-1,3-benzoxazole
InChI:
InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3
InChI Key:
XVQGFGKAPKEUFT-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(o2)C
EC Number:
227-136-5
UNII:
518Y7AS4WL
NSC Number:
93785
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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