Name: Name:Butanoic acid, 2-hydroxy-3-methyl-, phenylmethyl ester, (2S)-
Brand: Angene
SKU: AG01DURB
Rating: 90 (10 reviews)

Butanoic acid, 2-hydroxy-3-methyl-, phenylmethyl ester, (2S)-

CAS No.:

65138-05-8

Catalog Number:

AG01DURB

Molecular Formula:

C12H16O3

Molecular Weight:

208.2536

Catalog Number:

AG01DURB

Chemical Name:

Butanoic acid, 2-hydroxy-3-methyl-, phenylmethyl ester, (2S)-

CAS Number:

65138-05-8

Molecular Formula:

C12H16O3

Molecular Weight:

208.2536

MDL Number:

MFCD31802150

IUPAC Name:

benzyl (2S)-2-hydroxy-3-methylbutanoate

InChI:

InChI=1S/C12H16O3/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-/m0/s1

InChI Key:

XANDRLFOMIFEFY-NSHDSACASA-N

SMILES:

O[C@H](C(=O)OCc1ccccc1)C(C)C

Complexity:

195

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.257g/mol

Monoisotopic Mass:

208.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4