Name: Name:1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-2-(hydroxymethyl)-, phenylmethyl ester, (2S)-
Brand: Angene
SKU: AG0022D6
Rating: 90 (10 reviews)

1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-2-(hydroxymethyl)-, phenylmethyl ester, (2S)-

CAS No.:

1808097-71-3

Catalog Number:

AG0022D6

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

Catalog Number:

AG0022D6

Chemical Name:

1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-2-(hydroxymethyl)-, phenylmethyl ester, (2S)-

CAS Number:

1808097-71-3

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

MDL Number:

MFCD19703949

IUPAC Name:

benzyl (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

InChI:

InChI=1S/C14H17NO3/c16-10-13-8-4-5-9-15(13)14(17)18-11-12-6-2-1-3-7-12/h1-7,13,16H,8-11H2/t13-/m0/s1

InChI Key:

KNESSVMWPUAPEL-ZDUSSCGKSA-N

SMILES:

OC[C@@H]1CC=CCN1C(=O)OCc1ccccc1

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.294g/mol

Monoisotopic Mass:

247.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7