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885273-66-5 | (3-(4-Aminophenyl)isoxazol-5-yl)methanol
CAS No: 885273-66-5 Catalog No: AG00472D MDL No:MFCD06738482
Product Description
Catalog Number:
AG00472D
Chemical Name:
(3-(4-Aminophenyl)isoxazol-5-yl)methanol
CAS Number:
885273-66-5
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD06738482
IUPAC Name:
[3-(4-aminophenyl)-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C10H10N2O2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6,11H2
InChI Key:
VNXXPOJYMSSBIO-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)c1ccc(cc1)N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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