Name: Name:Benzenepropanoic acid, 3-hydroxy-β-(1-methylethyl)-, methyl ester
Brand: Angene
SKU: AG000AV3
Rating: 90 (10 reviews)

Benzenepropanoic acid, 3-hydroxy-β-(1-methylethyl)-, methyl ester

CAS No.:

1142224-26-7

Catalog Number:

AG000AV3

Molecular Formula:

C13H18O3

Molecular Weight:

222.2802

Catalog Number:

AG000AV3

Chemical Name:

Benzenepropanoic acid, 3-hydroxy-β-(1-methylethyl)-, methyl ester

CAS Number:

1142224-26-7

Molecular Formula:

C13H18O3

Molecular Weight:

222.2802

MDL Number:

MFCD27959540

IUPAC Name:

methyl 3-(3-hydroxyphenyl)-4-methylpentanoate

InChI:

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

InChI Key:

LPNDMJQBOFLBRG-UHFFFAOYSA-N

SMILES:

COC(=O)CC(c1cccc(c1)O)C(C)C

Complexity:

225

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:

2.8