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96994-64-8 | 2,2-dimethoxy-2-(pyridin-4-yl)ethan-1-ol
CAS No: 96994-64-8 Catalog No: AG01BHNL MDL No:MFCD28397353
Product Description
Catalog Number:
AG01BHNL
Chemical Name:
2,2-dimethoxy-2-(pyridin-4-yl)ethan-1-ol
CAS Number:
96994-64-8
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD28397353
IUPAC Name:
2,2-dimethoxy-2-pyridin-4-ylethanol
InChI:
InChI=1S/C9H13NO3/c1-12-9(7-11,13-2)8-3-5-10-6-4-8/h3-6,11H,7H2,1-2H3
InChI Key:
ZFZJXIFEWVRWHE-UHFFFAOYSA-N
SMILES:
OCC(c1ccncc1)(OC)OC
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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