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2060053-64-5 | 5,5-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS No: 2060053-64-5 Catalog No: AG01BY7Y MDL No:MFCD30488681
Product Description
Catalog Number:
AG01BY7Y
Chemical Name:
5,5-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS Number:
2060053-64-5
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD30488681
IUPAC Name:
5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-3-one
InChI:
InChI=1S/C9H13NO2/c1-9(2)4-3-7-6(5-9)8(11)10-12-7/h3-5H2,1-2H3,(H,10,11)
InChI Key:
SXXWRLQVBGXQOT-UHFFFAOYSA-N
SMILES:
Oc1noc2c1CC(C)(C)CC2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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