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5631-68-5 | 3-(2,4-Dihydroxyphenyl)propanoic acid
CAS No: 5631-68-5 Catalog No: AG003HZU MDL No:MFCD00143017
Product Description
Catalog Number:
AG003HZU
Chemical Name:
3-(2,4-Dihydroxyphenyl)propanoic acid
CAS Number:
5631-68-5
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00143017
IUPAC Name:
3-(2,4-dihydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H10O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChI Key:
HMCMTJPPXSGYJY-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1O)O
NSC Number:
71551
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| DNA-coated microbubbles with biochemically tunable ultrasound contrast activity. | Advanced materials (Deerfield Beach, Fla.) 20111109 |
| Formation of coumarines during the degradation of alkyl substituted aromatic oil components by the yeast Trichosporon asahii. | Applied microbiology and biotechnology 20091001 |
| Toward autonomously operating molecular machines driven by transition-metal catalyst. | Molecular bioSystems 20080601 |
| Enhanced substituted resorcinol hydrophobicity augments tyrosinase inhibition potency. | Journal of medicinal chemistry 20070531 |
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