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Home> Hot Product Listed M   > MOLPORT-004-138-633
6738-23-4 structure

MOLPORT-004-138-633

Iupac Name:1-methoxy-2,4-dimethylbenzene
CAS No.:6738-23-4
Molecular Weight:136.194
Molecular Formula:C11H17NO3 (isomer)
Names and Identifiers
Synonyms

[2-oxo-2-(1h-pyrrol-2-yl)ethyl] 2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzoate 2-oxo-2-(1h-pyrrol-2-yl)ethyl 2-chloro-5-[(2-methoxyphenyl)(methyl)sulfamoyl]benzoate AC1MPOQH MCULE-4953145170 Z19515106 ZINC8825078

Inchi
InChI=1S/C9H12O/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3
InChkey
UJCFZCTTZWHRNL-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=C(C=C1)OC)C
Properties
Refractive Index
n20/D 1.514(lit.)
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Transport
3271
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 6738-23-4 EC: MOLPORT-004-138-633 ·ECHA C&L Inventory for CAS: CAS: 6738-23-4 EC: MOLPORT-004-138-633
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:136.194g/mol
  • Molecular Formula:C11H17NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.1
  • Exact Mass:136.089
  • Monoisotopic Mass:136.089
  • Complexity:101
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:9.2A^2
  • Heavy Atom Count:10
  • 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: AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASAmAIyBoAABACA AiBCAAACCAAgIAAIiAAGCIgMJiKEMRqAMCAkwBEIqAeAwGAOIAACAAAIAABAAAQAABAAAAAAAAAA AA==
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