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391927-01-8 | Phenol, 3-(5-isoxazolyl)- (9CI)
CAS No: 391927-01-8 Catalog No: AG00CIH0 MDL No:
Product Description
Catalog Number:
AG00CIH0
Chemical Name:
Phenol, 3-(5-isoxazolyl)- (9CI)
CAS Number:
391927-01-8
IUPAC Name:
3-(1,2-oxazol-5-yl)phenol
InChI:
InChI=1S/C9H7NO2/c11-8-3-1-2-7(6-8)9-4-5-10-12-9/h1-6,11H
InChI Key:
UDHYHKYQEZZNJR-UHFFFAOYSA-N
Properties
Complexity:
152
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:
1.7
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