CAS 614-86-8 | 3-(2,4-Dihydroxyphenyl)acrylic acid | CAS Number 614-86-8

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614-86-8 | 3-(2,4-Dihydroxyphenyl)acrylic acid

CAS No: 614-86-8 Catalog No: AG003FT8 MDL No:MFCD00463787

Product Description

Catalog Number:

AG003FT8

Chemical Name:

3-(2,4-Dihydroxyphenyl)acrylic acid

CAS Number:

614-86-8

Molecular Formula:

C9H8O4

Molecular Weight:

180.1574

MDL Number:

MFCD00463787

IUPAC Name:

(E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid

InChI:

InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

InChI Key:

HGEFWFBFQKWVMY-DUXPYHPUSA-N

SMILES:

OC(=O)C=Cc1ccc(cc1O)O

Properties

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.159g/mol

Monoisotopic Mass:

180.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Curcumin recognizes a unique binding site of tubulin.	Journal of medicinal chemistry 20110922
Contribution of cinnamic acid analogues in rosmarinic acid to inhibition of snake venom induced hemorrhage.	Bioorganic & medicinal chemistry 20110401