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Home> Hot Product Listed M   > MOLPORT-009-399-002
535-17-1 structure

MOLPORT-009-399-002

Iupac Name:2-acetyloxypropanoic acid
CAS No.:535-17-1
Molecular Weight:132.11500
Molecular Formula:C12H13IO3 (isomer)
Names and Identifiers
Synonyms

5-(2,5-dimethoxybenzenesulfonyl)-4-phenyl-4h,5h,6h,7h-thieno[3,2-c]pyridine 5-(2,5-dimethoxybenzenesulfonyl)-4-phenyl-4h,6h,7h-thieno[3,2-c]pyridine MCULE-2993332229 Z133836562

Inchi
InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)
InChkey
WTLNOANVTIKPEE-UHFFFAOYSA-N
Canonical Smiles
CC(C(=O)O)OC(=O)C
Properties
Refractive Index
n20/D 1.423
HS Code
2918990090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26-S36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 535-17-1 EC: MOLPORT-009-399-002 ·ECHA C&L Inventory for CAS: CAS: 535-17-1 EC: MOLPORT-009-399-002
Computational chemical data
  • Molecular Weight:132.11500g/mol
  • Molecular Formula:C12H13IO3
  • Compound Is Canonicalized:True
  • Exact Mass:132.042
  • Monoisotopic Mass:132.042
  • Complexity:129
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.6A^2
  • Heavy Atom Count:9
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgAI AACQCAIAAAAAAAAAAAFAAAABAAAAAAQCQAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Tel:86-25-83697070
  • Fax:86-25-83453275
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  • Fax:
  • Tel:(33) 4 70 03 88 55
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