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177995-40-3 | 1,2-Benzisoxazol-3-amine, 4-methoxy-
CAS No: 177995-40-3 Catalog No: AG0025OU MDL No:MFCD03407354
Product Description
Catalog Number:
AG0025OU
Chemical Name:
1,2-Benzisoxazol-3-amine, 4-methoxy-
CAS Number:
177995-40-3
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD03407354
IUPAC Name:
4-methoxy-1,2-benzoxazol-3-amine
InChI:
InChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)
InChI Key:
YFNIGSJHKGKXEQ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(N)no2
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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