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87451-39-6 | Pyridine, 4-[(1-methyl-1H-pyrrol-2-yl)methyl]-
CAS No: 87451-39-6 Catalog No: AG004HHK MDL No:
Product Description
Catalog Number:
AG004HHK
Chemical Name:
Pyridine, 4-[(1-methyl-1H-pyrrol-2-yl)methyl]-
CAS Number:
87451-39-6
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
4-[(1-methylpyrrol-2-yl)methyl]pyridine
InChI:
InChI=1S/C11H12N2/c1-13-8-2-3-11(13)9-10-4-6-12-7-5-10/h2-8H,9H2,1H3
InChI Key:
SOIBMGVALONJOV-UHFFFAOYSA-N
SMILES:
Cn1cccc1Cc1ccncc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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