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885273-25-6 | 3-(4-Methoxyphenyl)benzo[d]isoxazol-6-ol
CAS No: 885273-25-6 Catalog No: AG0047MP MDL No:MFCD06739123
Product Description
Catalog Number:
AG0047MP
Chemical Name:
3-(4-Methoxyphenyl)benzo[d]isoxazol-6-ol
CAS Number:
885273-25-6
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
MDL Number:
MFCD06739123
IUPAC Name:
3-(4-methoxyphenyl)-1,2-benzoxazol-6-ol
InChI:
InChI=1S/C14H11NO3/c1-17-11-5-2-9(3-6-11)14-12-7-4-10(16)8-13(12)18-15-14/h2-8,16H,1H3
InChI Key:
YQNUGYGHEHFFLI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc2c1ccc(c2)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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