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40925-63-1 | 5-methoxy-3H-benzooxazol-2-one
CAS No: 40925-63-1 Catalog No: AG00CMO0 MDL No:MFCD01664196
Product Description
Catalog Number:
AG00CMO0
Chemical Name:
5-methoxy-3H-benzooxazol-2-one
CAS Number:
40925-63-1
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD01664196
IUPAC Name:
5-methoxy-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H7NO3/c1-11-5-2-3-7-6(4-5)9-8(10)12-7/h2-4H,1H3,(H,9,10)
InChI Key:
YOLHKYWNQMSMDN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(=O)o2
UNII:
E34KUF6QEO
NSC Number:
24999
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:
3
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:
1.1
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