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20514-29-8 | Benzoxazole, 2-ethyl-5-methyl-
CAS No: 20514-29-8 Catalog No: AG0029WC MDL No:MFCD19374490
Product Description
Catalog Number:
AG0029WC
Chemical Name:
Benzoxazole, 2-ethyl-5-methyl-
CAS Number:
20514-29-8
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD19374490
IUPAC Name:
2-ethyl-5-methyl-1,3-benzoxazole
InChI:
InChI=1S/C10H11NO/c1-3-10-11-8-6-7(2)4-5-9(8)12-10/h4-6H,3H2,1-2H3
InChI Key:
AGJVECUUCFVCDO-UHFFFAOYSA-N
SMILES:
CCc1nc2c(o1)ccc(c2)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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