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416860-20-3 | Phenol, 4-(4-isoxazolyl)- (9CI)
CAS No: 416860-20-3 Catalog No: AG00D7W3 MDL No:
Product Description
Catalog Number:
AG00D7W3
Chemical Name:
Phenol, 4-(4-isoxazolyl)- (9CI)
CAS Number:
416860-20-3
IUPAC Name:
4-(1,2-oxazol-4-yl)phenol
InChI:
InChI=1S/C9H7NO2/c11-9-3-1-7(2-4-9)8-5-10-12-6-8/h1-6,11H
InChI Key:
JFBQOBDTCANUOZ-UHFFFAOYSA-N
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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