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898760-13-9 | 2-(4-HEXYLBENZOYL)OXAZOLE
CAS No: 898760-13-9 Catalog No: AG00GXAI MDL No:
Product Description
Catalog Number:
AG00GXAI
Chemical Name:
2-(4-HEXYLBENZOYL)OXAZOLE
CAS Number:
898760-13-9
IUPAC Name:
(4-hexylphenyl)-(1,3-oxazol-2-yl)methanone
InChI:
InChI=1S/C16H19NO2/c1-2-3-4-5-6-13-7-9-14(10-8-13)15(18)16-17-11-12-19-16/h7-12H,2-6H2,1H3
InChI Key:
VEGGMCLDNBNKTL-UHFFFAOYSA-N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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