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6996-50-5 | 2-Pentylbenzoxazole
CAS No: 6996-50-5 Catalog No: AG00FVAQ MDL No:
Product Description
Catalog Number:
AG00FVAQ
Chemical Name:
2-Pentylbenzoxazole
CAS Number:
6996-50-5
IUPAC Name:
2-pentyl-1,3-benzoxazole
InChI:
InChI=1S/C12H15NO/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3
InChI Key:
VRDOVQBUTHQKPS-UHFFFAOYSA-N
Properties
Complexity:
172
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:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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