CAS 2107-70-2 | Benzenepropanoic acid, 3,4-dimethoxy- | CAS Number 2107-70-2

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 2107-70-2

2107-70-2 | Benzenepropanoic acid, 3,4-dimethoxy-

CAS No: 2107-70-2 Catalog No: AG002KXO MDL No:MFCD00002774

Product Description

Catalog Number:

AG002KXO

Chemical Name:

Benzenepropanoic acid, 3,4-dimethoxy-

CAS Number:

2107-70-2

Molecular Formula:

C11H14O4

Molecular Weight:

210.2265

MDL Number:

MFCD00002774

IUPAC Name:

3-(3,4-dimethoxyphenyl)propanoic acid

InChI:

InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)

InChI Key:

LHHKQWQTBCTDQM-UHFFFAOYSA-N

SMILES:

COc1cc(CCC(=O)O)ccc1OC

EC Number:

218-288-3

UNII:

6XO32ZSP1D

NSC Number:

76043

Properties

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.229g/mol

Monoisotopic Mass:

210.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action.	Bioorganic & medicinal chemistry 20120915
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501