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1019452-63-1

1019452-63-1 | 4-Pyridinecarboxylic acid, 2-[[(tetrahydro-2-furanyl)methyl]amino]-

CAS No: 1019452-63-1 Catalog No: AG00060Z MDL No:MFCD11132188

Product Description

Catalog Number:
AG00060Z
Chemical Name:
4-Pyridinecarboxylic acid, 2-[[(tetrahydro-2-furanyl)methyl]amino]-
CAS Number:
1019452-63-1
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD11132188
IUPAC Name:
2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C11H14N2O3/c14-11(15)8-3-4-12-10(6-8)13-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)(H,14,15)
InChI Key:
CRDJTFDOELBGNW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)NCC1CCCO1

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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