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157368-82-6 | 1,2-Benzisoxazol-3-amine, 6-methoxy-
CAS No: 157368-82-6 Catalog No: AG001PF4 MDL No:MFCD18801052
Product Description
Catalog Number:
AG001PF4
Chemical Name:
1,2-Benzisoxazol-3-amine, 6-methoxy-
CAS Number:
157368-82-6
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD18801052
IUPAC Name:
6-methoxy-1,2-benzoxazol-3-amine
InChI:
InChI=1S/C8H8N2O2/c1-11-5-2-3-6-7(4-5)12-10-8(6)9/h2-4H,1H3,(H2,9,10)
InChI Key:
UYWCFQVFVCXHCP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)onc2N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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