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Home> Hot Product Listed 4   > 4-bromo-9-methoxy-7H-furo[3,2-g]chromen-7-one
15761-38-3 structure

4-bromo-9-methoxy-7H-furo[3,2-g]chromen-7-one

Iupac Name:(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CAS No.:15761-38-3
Molecular Weight:189.21
Molecular Formula:C16H10 (isomer)
Names and Identifiers
Synonyms

4-bromo-9-methoxyfuro[3,2-g]chromen-7-one 5-bromo-8-methoxypsoralen AC1L64C2 AC1Q6AY4 AKOS030548574 AR-1G1260 CHEMBL1288999 CTK4E1152 DTXSID60286464 LQDFTMLCQBZFKE-UHFFFAOYSA-N nsc45921 nsc-45921 SCHEMBL4187228 ZINC1677689

Inchi
InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChkey
QVHJQCGUWFKTSE-YFKPBYRVSA-N
Canonical Smiles
CC(C(=O)O)NC(=O)OC(C)(C)C
Isomers Smiles
C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Density
1.309
Melting Point
79-83 °C(lit.)
Boiling Point
557.1°C at 760 mmHg
Refractive Index
-25.5 ° (C=2, AcOH)
Flash Point
206.5°C
Alpha
-26 o (C=2, ACETIC ACID)
HS Code
2924 19 00
Safety and Handling
Risk Statements
20/21/22-36/37/38
Safety Statements
24/25-36-26
HazardClass
IRRITANT
Transport
OTH
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:189.21g/mol
  • Molecular Formula:C16H10
  • Compound Is Canonicalized:True
  • Exact Mass:189.1
  • Monoisotopic Mass:189.1
  • Complexity:207
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:1
  • 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: AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADGzBgAQCCALABgAI AACQGAAAAAAAAAAAAIGIAAECAAAAACAIQAAAFgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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