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hafnium,palladium structure
hafnium,palladium structure

hafnium,palladium

Iupac Name:4-(2-oxo-1,3-dihydroindol-3-yl)butanoic acid
CAS No.:2971-18-8
Molecular Weight:219.24
1. Names and Identifiers
1.1 Name
hafnium,palladium
1.2 Synonyms

Hafnium,compd. with palladium (1:1)

1.3 CAS No.
2971-18-8
1.4 CID
2764088
1.5 Molecular Formula
C9H10O5 (isomer)
1.6 Inchi
InChI=1S/C12H13NO3/c14-11(15)7-3-5-9-8-4-1-2-6-10(8)13-12(9)16/h1-2,4,6,9H,3,5,7H2,(H,13,16)(H,14,15)
1.7 InChkey
CDVWMZQPMYOBJM-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C2C(=C1)C(C(=O)N2)CCCC(=O)O
1.9 Isomers Smiles
C1=CC=C2C(=C1)C(C(=O)N2)CCCC(=O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
169-171
3.2 Refractive Index
1.565
4. Safety and Handling
4.1 Risk Statements
22-36
4.2 Safety Statements
26
4.3 HazardClass
IRRITANT
5. 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

6. Computational chemical data
  • Molecular Weight:219.24g/mol
  • Molecular Formula:C9H10O5
  • Compound Is Canonicalized:True
  • Exact Mass:219.09
  • Monoisotopic Mass:219.09
  • Complexity:290
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:16
  • 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
8. Recommended Suppliers
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4-(2-Oxo-2,3-dihydro-1H-indol-3-yl)butanoic acid
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