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Home> Hot Product Listed T   > T6595888
25173-37-9 structure

T6595888

Iupac Name:3-(4-methylphenoxy)propanoic acid
CAS No.:25173-37-9
Molecular Weight:180.203
Molecular Formula:C14H12CL2O2 (isomer)
Names and Identifiers
Synonyms

MCULE-4959815060 MOLPORT-009-063-677 n-[3-(3,5-dimethyl-1h-pyrazol-1-yl)-2-methylpropyl]-3-(thiophen-2-yl)propanamide Z435597460

Inchi
InChI=1S/C10H12O3/c1-8-2-4-9(5-3-8)13-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChkey
GNPISAHACGIXLZ-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)OCCC(=O)O
Properties
Melting Point
98-100 °C(lit.)
Safety and Handling
Safety Statements
22-24/25
Computational chemical data
  • Molecular Weight:180.203g/mol
  • Molecular Formula:C14H12CL2O2
  • Compound Is Canonicalized:True
  • Exact Mass:180.079
  • Monoisotopic Mass:180.079
  • Complexity:160
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5A^2
  • Heavy Atom Count:13
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyDoAABgCI AiDSCAACCAAgIAAIiAEGCIgMJiaEMRqCeCCl4BEIqAeAwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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  • Tel:0086-531-58773055
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  • Tel:+86-755-33670265
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  • Fax:+86 571 8542 0855
  • Tel:(06) 6946 6231
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  • Fax:+86-21-6352 9922
  • Tel:+86-(21)-26607989
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