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89360-42-9 | Propanol, (3-methylphenoxy)-
CAS No: 89360-42-9 Catalog No: AG003YX6 MDL No:
Product Description
Catalog Number:
AG003YX6
Chemical Name:
Propanol, (3-methylphenoxy)-
CAS Number:
89360-42-9
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
1-(3-methylphenoxy)propan-1-ol
InChI:
InChI=1S/C10H14O2/c1-3-10(11)12-9-6-4-5-8(2)7-9/h4-7,10-11H,3H2,1-2H3
InChI Key:
HAVRFPKUVJJVCT-UHFFFAOYSA-N
SMILES:
CCC(Oc1cccc(c1)C)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:
3
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