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4317-61-7 | 1-(o-Tolyloxy)propan-2-ol
CAS No: 4317-61-7 Catalog No: AG003CV7 MDL No:MFCD00191542
Product Description
Catalog Number:
AG003CV7
Chemical Name:
1-(o-Tolyloxy)propan-2-ol
CAS Number:
4317-61-7
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD00191542
IUPAC Name:
1-(2-methylphenoxy)propan-2-ol
InChI:
InChI=1S/C10H14O2/c1-8-5-3-4-6-10(8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChI Key:
ISIQEWJJVXFCDP-UHFFFAOYSA-N
SMILES:
CC(COc1ccccc1C)O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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