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36112-95-5 | propranolol glycol
CAS No: 36112-95-5 Catalog No: AG00CA0E MDL No:MFCD00673941
Product Description
Catalog Number:
AG00CA0E
Chemical Name:
propranolol glycol
CAS Number:
36112-95-5
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD00673941
IUPAC Name:
3-naphthalen-1-yloxypropane-1,2-diol
InChI:
InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2
InChI Key:
BYNNMWGWFIGTIC-UHFFFAOYSA-N
SMILES:
OCC(COc1cccc2c1cccc2)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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