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1260837-02-2 | 6-methoxybenzo[c]isoxazol-3(1H)-one
CAS No: 1260837-02-2 Catalog No: AG01DI82 MDL No:MFCD09842481
Product Description
Catalog Number:
AG01DI82
Chemical Name:
6-methoxybenzo[c]isoxazol-3(1H)-one
CAS Number:
1260837-02-2
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD09842481
IUPAC Name:
6-methoxy-1H-2,1-benzoxazol-3-one
InChI:
InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)9-12-8(6)10/h2-4,9H,1H3
InChI Key:
VDLJSWIMBAEIDS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]oc2=O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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