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Home Aldehydes 3,4-Dihydroxy-5-methoxybenzaldehyde

3,4-Dihydroxy-5-methoxybenzaldehyde

CAS No.:
3934-87-0
Catalog Number:
AG003IHK
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$239
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Product Description
Catalog Number:
AG003IHK
Chemical Name:
3,4-Dihydroxy-5-methoxybenzaldehyde
CAS Number:
3934-87-0
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD00016610
IUPAC Name:
3,4-dihydroxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3
InChI Key:
RRKMWVISRMWBAL-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1O)O
EC Number:
223-513-3
UNII:
NHS89FSM17
NSC Number:
16679
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Sequencing around 5-hydroxyconiferyl alcohol-derived units in caffeic acid O-methyltransferase-deficient poplar lignins. Plant physiology 20100601
Impact of linker strain and flexibility in the design of a fragment-based inhibitor. Nature chemical biology 20090601
Properties