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1231749-32-8 | 6-hydroxy-4-methyl-2,3-dihydro-1,3-benzoxazol-2-one
CAS No: 1231749-32-8 Catalog No: AG01EMHQ MDL No:MFCD24620207
Product Description
Catalog Number:
AG01EMHQ
Chemical Name:
6-hydroxy-4-methyl-2,3-dihydro-1,3-benzoxazol-2-one
CAS Number:
1231749-32-8
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD24620207
IUPAC Name:
6-hydroxy-4-methyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H7NO3/c1-4-2-5(10)3-6-7(4)9-8(11)12-6/h2-3,10H,1H3,(H,9,11)
InChI Key:
HYXUVHMQHBSTHY-UHFFFAOYSA-N
SMILES:
Cc1cc(O)cc2c1[nH]c(=O)o2
Properties
Complexity:
207
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:
2
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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