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2060049-90-1 | 5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS No: 2060049-90-1 Catalog No: AG01BY7R MDL No:MFCD30488674
Product Description
Catalog Number:
AG01BY7R
Chemical Name:
5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS Number:
2060049-90-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD30488674
IUPAC Name:
5-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C9H13NO2/c1-2-6-3-4-8-7(5-6)9(11)10-12-8/h6H,2-5H2,1H3,(H,10,11)
InChI Key:
APFHDYLUTUFZCO-UHFFFAOYSA-N
SMILES:
CCC1CCc2c(C1)c(O)no2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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