Name: Name:(2E)-3-{3-methoxy-4-[(4-methylbenzenesulfonyl)oxy]phenyl}prop-2-enoic acid
Brand: Angene
SKU: AG01EM1U
Rating: 90 (10 reviews)

(2E)-3-{3-methoxy-4-[(4-methylbenzenesulfonyl)oxy]phenyl}prop-2-enoic acid

CAS No.:

823788-14-3

Catalog Number:

AG01EM1U

Molecular Formula:

C17H16O6S

Molecular Weight:

348.3703

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG01EM1U

Chemical Name:

(2E)-3-{3-methoxy-4-[(4-methylbenzenesulfonyl)oxy]phenyl}prop-2-enoic acid

CAS Number:

823788-14-3

Molecular Formula:

C17H16O6S

Molecular Weight:

348.3703

MDL Number:

MFCD03978347

IUPAC Name:

(E)-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoic acid

InChI:

InChI=1S/C17H16O6S/c1-12-3-7-14(8-4-12)24(20,21)23-15-9-5-13(6-10-17(18)19)11-16(15)22-2/h3-11H,1-2H3,(H,18,19)/b10-6+

InChI Key:

OBIOXFLUCOHLTL-UXBLZVDNSA-N

SMILES:

COc1cc(/C=C/C(=O)O)ccc1OS(=O)(=O)c1ccc(cc1)C

Properties

Complexity:

542

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

348.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.369g/mol

Monoisotopic Mass:

348.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
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