Name: Name:Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester, (αS)-
Brand: Angene
SKU: AG003AO0
Rating: 90 (10 reviews)

Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester, (αS)-

CAS No.:

81576-55-8

Catalog Number:

AG003AO0

Molecular Formula:

C14H20O2

Molecular Weight:

220.3074

Catalog Number:

AG003AO0

Chemical Name:

Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester, (αS)-

CAS Number:

81576-55-8

Molecular Formula:

C14H20O2

Molecular Weight:

220.3074

MDL Number:

MFCD29079164

IUPAC Name:

methyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

InChI:

InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1

InChI Key:

YNZYUHPFNYBBFF-NSHDSACASA-N

SMILES:

COC(=O)[C@H](c1ccc(cc1)CC(C)C)C

UNII:

RAS2SW9888

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.312g/mol

Monoisotopic Mass:

220.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8