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6797-13-3 | 2-Ethylbenzo[d]oxazole
CAS No: 6797-13-3 Catalog No: AG0061NQ MDL No:MFCD01664178
Product Description
Catalog Number:
AG0061NQ
Chemical Name:
2-Ethylbenzo[d]oxazole
CAS Number:
6797-13-3
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD01664178
IUPAC Name:
2-ethyl-1,3-benzoxazole
InChI:
InChI=1S/C9H9NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
InChI Key:
YPIFLXOVPCARGI-UHFFFAOYSA-N
SMILES:
CCc1nc2c(o1)cccc2
EC Number:
229-868-0
Properties
Complexity:
138
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:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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