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Home> Encyclopedia > Hot Product Listed 5   > 5-Benzofurancarboxaldehyde,4-hydroxy-
135306-78-4 structure

5-Benzofurancarboxaldehyde,4-hydroxy-

Iupac Name:2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
CAS No.:135306-78-4
Molecular Weight:527.527
Molecular Formula:C20H19NO4 (isomer)
Names and Identifiers
Synonyms

4-hydroxy-1-benzofuran-5-carbaldehyde 4-hydroxy-5-benzofurancarboxaldehyde 4-hydroxybenzofuran-5-carbaldehyde 4-hydroxybenzofuran-5-carboxaldehyde 5-benzo[b]furancarbaldehyde,4-hydroxy- 5-benzofurancarboxaldehyde, 4-hydroxy- AC1L85T2 AKOS022636329 DTXSID00313884 HE278469 KB-196770 NSC 278074 nsc278074 ZINC1562935

Inchi
InChI=1S/C23H33N3O11/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChkey
AQOXEJNYXXLRQQ-UHFFFAOYSA-N
Canonical Smiles
CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Properties
Density
1.277
Boiling Point
362.8°Cat760mmHg
Vapour
2.27E-28mmHg at 25°C
Refractive Index
1.593
Flash Point
280.7°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:527.527g/mol
  • Molecular Formula:C20H19NO4
  • Compound Is Canonicalized:True
  • Exact Mass:527.212
  • Monoisotopic Mass:527.212
  • Complexity:739
  • Rotatable Bond Count:20
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:14
  • Heavy Atom Count:37
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:010-56205725;010-86181995
  • Fax:010-65763397
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:010-86181995
  • Fax:010-86860610
 
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