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2060053-73-6 | 4,6-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS No: 2060053-73-6 Catalog No: AG01BY7V MDL No:MFCD30488678
Product Description
Catalog Number:
AG01BY7V
Chemical Name:
4,6-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS Number:
2060053-73-6
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD30488678
IUPAC Name:
4,6-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C9H13NO2/c1-5-3-6(2)8-7(4-5)12-10-9(8)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChI Key:
TWCQVEZLKGDZMG-UHFFFAOYSA-N
SMILES:
CC1CC(C)c2c(C1)onc2O
Properties
Complexity:
257
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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