Home Other Building Blocks 3-(2,4-Dihydroxyphenyl)acrylic acid

3-(2,4-Dihydroxyphenyl)acrylic acid

CAS No.:
614-86-8
Catalog Number:
AG003FT8
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties