Home Aldehydes 2,4,5-Trihydroxybenzaldehyde

2,4,5-Trihydroxybenzaldehyde

CAS No.:
35094-87-2
Catalog Number:
AG003FLZ
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
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Product Description
Catalog Number:
AG003FLZ
Chemical Name:
2,4,5-Trihydroxybenzaldehyde
CAS Number:
35094-87-2
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
MDL Number:
MFCD00016592
IUPAC Name:
2,4,5-trihydroxybenzaldehyde
InChI:
InChI=1S/C7H6O4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-3,9-11H
InChI Key:
WNCNWLVQSHZVKV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(cc1O)O
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Actin- and dynamin-dependent maturation of bulk endocytosis restores neurotransmission following synaptic depletion. PloS one 20120101
Health-Beneficial Phenolic Aldehyde in Antigonon leptopus Tea. Evidence-based complementary and alternative medicine : eCAM 20110101
Impact of linker strain and flexibility in the design of a fragment-based inhibitor. Nature chemical biology 20090601
Cytotoxicity effects of di- and tri-hydroxybenzaldehydes as a chemopreventive potential agent on tumor cells. Toxicology 20010328
Properties