Name: Name:4-Pyridinepropanoic acid, 2-chloro-β-cyclopropyl-, methyl ester, (βS)-
Brand: Angene
SKU: AG0026DN
Rating: 90 (10 reviews)

4-Pyridinepropanoic acid, 2-chloro-β-cyclopropyl-, methyl ester, (βS)-

CAS No.:

1788058-39-8

Catalog Number:

AG0026DN

Molecular Formula:

C12H14ClNO2

Molecular Weight:

239.6981

Catalog Number:

AG0026DN

Chemical Name:

4-Pyridinepropanoic acid, 2-chloro-β-cyclopropyl-, methyl ester, (βS)-

CAS Number:

1788058-39-8

Molecular Formula:

C12H14ClNO2

Molecular Weight:

239.6981

MDL Number:

MFCD28501508

IUPAC Name:

methyl (3S)-3-(2-chloropyridin-4-yl)-3-cyclopropylpropanoate

InChI:

InChI=1S/C12H14ClNO2/c1-16-12(15)7-10(8-2-3-8)9-4-5-14-11(13)6-9/h4-6,8,10H,2-3,7H2,1H3/t10-/m0/s1

InChI Key:

MCHAHPNGMPXGCC-JTQLQIEISA-N

SMILES:

COC(=O)C[C@H](c1ccnc(c1)Cl)C1CC1

Complexity:

255

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.699g/mol

Monoisotopic Mass:

239.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8