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2060032-80-4 | 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS No: 2060032-80-4 Catalog No: AG01BY7Q MDL No:MFCD30488673
Product Description
Catalog Number:
AG01BY7Q
Chemical Name:
5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS Number:
2060032-80-4
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD30488673
IUPAC Name:
5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C8H11NO2/c1-5-2-3-7-6(4-5)8(10)9-11-7/h5H,2-4H2,1H3,(H,9,10)
InChI Key:
JJNGIEBGMPFNJN-UHFFFAOYSA-N
SMILES:
CC1CCc2c(C1)c(O)no2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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