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81454-23-1 | 2-(1,1-dimethoxyethyl)-pyridine
CAS No: 81454-23-1 Catalog No: AG01E1LB MDL No:MFCD18803371
Product Description
Catalog Number:
AG01E1LB
Chemical Name:
2-(1,1-dimethoxyethyl)-pyridine
CAS Number:
81454-23-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD18803371
IUPAC Name:
2-(1,1-dimethoxyethyl)pyridine
InChI:
InChI=1S/C9H13NO2/c1-9(11-2,12-3)8-6-4-5-7-10-8/h4-7H,1-3H3
InChI Key:
IKNMJLGGVYFBFL-UHFFFAOYSA-N
SMILES:
COC(c1ccccn1)(OC)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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