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Home> Hot Product Listed S   > STOCK7S-10664
345971-25-7 structure

STOCK7S-10664

Iupac Name:2-(5-formyl-1H-pyrrol-2-yl)acetic acid
CAS No.:345971-25-7
Molecular Weight:153.137
Molecular Formula:C19H15N7O2 (isomer)
Names and Identifiers
Synonyms

2-(4-{1-methyl-7-oxo-4h,6h,8h-pyrazolo[3,4-e][1,4]thiazepin-4-yl}phenoxy)acetamide 2-[4-(7-hydroxy-1-methyl-4,6-dihydro-1h-pyrazolo[3,4-e][1,4]thiazepin-4-yl)phenoxy]acetamide AKOS005762535 AKOS032410948 BG00661341 MCULE-2364272804 MOLPORT-009-652-834 MOLPORT-019-792-813 STL162998

Inchi
InChI=1S/C7H7NO3/c9-4-6-2-1-5(8-6)3-7(10)11/h1-2,4,8H,3H2,(H,10,11)
InChkey
DWFQTXDHXLWUEU-UHFFFAOYSA-N
Canonical Smiles
C1=C(NC(=C1)C=O)CC(=O)O
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:153.137g/mol
  • Molecular Formula:C19H15N7O2
  • Compound Is Canonicalized:True
  • Exact Mass:153.043
  • Monoisotopic Mass:153.043
  • Complexity:169
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:70.2A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAQCAAACAihlgIwiJLJkgCo ASzyzACCgCAnAiAImSGwZNgIIPrAlbGEQQhm0AHIyYeYySCQAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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