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29078-21-5 | Benzoxazole, 2-methyl-7-(1-methylethyl)-
CAS No: 29078-21-5 Catalog No: AG002X92 MDL No:
Product Description
Catalog Number:
AG002X92
Chemical Name:
Benzoxazole, 2-methyl-7-(1-methylethyl)-
CAS Number:
29078-21-5
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
2-methyl-7-propan-2-yl-1,3-benzoxazole
InChI:
InChI=1S/C11H13NO/c1-7(2)9-5-4-6-10-11(9)13-8(3)12-10/h4-7H,1-3H3
InChI Key:
RQZKJJKXOPPQHY-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)c(ccc2)C(C)C
Properties
Complexity:
181
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:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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