Name: Name:Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, methyl ester
Brand: Angene
SKU: AG000AV1
Rating: 90 (10 reviews)

Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, methyl ester

CAS No.:

1142224-62-1

Catalog Number:

AG000AV1

Molecular Formula:

C13H16O3

Molecular Weight:

220.2643

Catalog Number:

AG000AV1

Chemical Name:

Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, methyl ester

CAS Number:

1142224-62-1

Molecular Formula:

C13H16O3

Molecular Weight:

220.2643

MDL Number:

MFCD27935376

IUPAC Name:

methyl 3-cyclopropyl-3-(3-hydroxyphenyl)propanoate

InChI:

InChI=1S/C13H16O3/c1-16-13(15)8-12(9-5-6-9)10-3-2-4-11(14)7-10/h2-4,7,9,12,14H,5-6,8H2,1H3

InChI Key:

PXBFBXFVUPMAJK-UHFFFAOYSA-N

SMILES:

COC(=O)CC(c1cccc(c1)O)C1CC1

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.268g/mol

Monoisotopic Mass:

220.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6