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439085-76-4 | 3-ETHOXYBENZO[D]ISOXAZOL-6-OL
CAS No: 439085-76-4 Catalog No: AG01DKVB MDL No:MFCD24719515
Product Description
Catalog Number:
AG01DKVB
Chemical Name:
3-ETHOXYBENZO[D]ISOXAZOL-6-OL
CAS Number:
439085-76-4
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD24719515
IUPAC Name:
3-ethoxy-1,2-benzoxazol-6-ol
InChI:
InChI=1S/C9H9NO3/c1-2-12-9-7-4-3-6(11)5-8(7)13-10-9/h3-5,11H,2H2,1H3
InChI Key:
MCPRFQJWGNAFTI-UHFFFAOYSA-N
SMILES:
CCOc1noc2c1ccc(c2)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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