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14569-61-0 | 2-Propanol, 1,3-bis(3-methylphenoxy)-
CAS No: 14569-61-0 Catalog No: AG001DBD MDL No:
Product Description
Catalog Number:
AG001DBD
Chemical Name:
2-Propanol, 1,3-bis(3-methylphenoxy)-
CAS Number:
14569-61-0
Molecular Formula:
C17H20O3
Molecular Weight:
272.3389
IUPAC Name:
1,3-bis(3-methylphenoxy)propan-2-ol
InChI:
InChI=1S/C17H20O3/c1-13-5-3-7-16(9-13)19-11-15(18)12-20-17-8-4-6-14(2)10-17/h3-10,15,18H,11-12H2,1-2H3
InChI Key:
OMCSFPIGGXISKT-UHFFFAOYSA-N
SMILES:
OC(COc1cccc(c1)C)COc1cccc(c1)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.344g/mol
Monoisotopic Mass:
272.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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