Name: Name:Benzenepropanoic acid,a-hydroxy-, 1,1-dimethylethyl ester,(S)-
Brand: Angene
SKU: AG00G5JV
Rating: 90 (10 reviews)

Benzenepropanoic acid,a-hydroxy-, 1,1-dimethylethyl ester,(S)-

CAS No.:

7622-23-3

Catalog Number:

AG00G5JV

Molecular Formula:

C13H18O3

Molecular Weight:

222.2802

Catalog Number:

AG00G5JV

Chemical Name:

Benzenepropanoic acid,a-hydroxy-, 1,1-dimethylethyl ester,(S)-

CAS Number:

7622-23-3

Molecular Formula:

C13H18O3

Molecular Weight:

222.2802

MDL Number:

MFCD11042373

IUPAC Name:

tert-butyl (2S)-2-hydroxy-3-phenylpropanoate

InChI:

InChI=1S/C13H18O3/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-/m0/s1

InChI Key:

GMYNKCIZSNJVEE-NSHDSACASA-N

SMILES:

O[C@H](C(=O)OC(C)(C)C)Cc1ccccc1

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.284g/mol

Monoisotopic Mass:

222.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4