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73713-91-4 | BENZOXAZOLE, 2-(1-ETHYLPROPYL)-
CAS No: 73713-91-4 Catalog No: AG005LMY MDL No:
Product Description
Catalog Number:
AG005LMY
Chemical Name:
BENZOXAZOLE, 2-(1-ETHYLPROPYL)-
CAS Number:
73713-91-4
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
2-pentan-3-yl-1,3-benzoxazole
InChI:
InChI=1S/C12H15NO/c1-3-9(4-2)12-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
InChI Key:
RDAXMDUCABQPMT-UHFFFAOYSA-N
SMILES:
CCC(c1nc2c(o1)cccc2)CC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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