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122528-39-6 | 2,1-Benzisoxazole, 5-methoxy-
CAS No: 122528-39-6 Catalog No: AG0017E4 MDL No:
Product Description
Catalog Number:
AG0017E4
Chemical Name:
2,1-Benzisoxazole, 5-methoxy-
CAS Number:
122528-39-6
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
5-methoxy-2,1-benzoxazole
InChI:
InChI=1S/C8H7NO2/c1-10-7-2-3-8-6(4-7)5-11-9-8/h2-5H,1H3
InChI Key:
KKPSHDAEPPMZDP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)con2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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