Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > STOCK3S-61135
682-11-1 structure

STOCK3S-61135

CAS No.:682-11-1
Molecular Weight:174.23742
Molecular Formula:C11H14N2O4 (isomer)
Names and Identifiers
Synonyms

2,2-dimethyl-5-(2-methylpropyl)-10-sulfanyl-1,4-dihydro-2h-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-ol AC1LXLOH AKOS005560869 MCULE-4601074151 MOLPORT-000-853-975 MOLPORT-002-587-885 OPREA1_672998 STK628259 ZINC2219984

Inchi
InChI=1/C9H18O3/c1-4-6-12-7-9(3,5-2)8(10)11/h4,8,10-11H,1,5-7H2,2-3H3
Canonical Smiles
CCC(CO)(CO)COCC=C
Properties
Melting Point
-10 °C
Refractive Index
n20/D 1.467(lit.)
Safety and Handling
Risk Statements
36/37/38
Safety Statements
Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ETHERS and ALLYL COMPOUNDS.
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:174.23742g/mol
  • Molecular Formula:C11H14N2O4
  • Exact Mass:174.125594
  • Monoisotopic Mass:174.125594
  • Complexity:119
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.7
  • Heavy Atom Count:12
  • 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
Recommended Suppliers
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:0086-21-50563169
  • Fax:
  • Tel:1-(419) 729-5448
  • Fax:1-(419) 729-3291
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+91-(260)-2400888, 2400817
  • Fax:+91-(260)-2401743, 2432916
  • Tel:+1-(800)-523-2575
  • Fax:+1-(800)-343-3291
Recommended Suppliers
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:0086-21-50563169
  • Fax:
  • Tel:1-(419) 729-5448
  • Fax:1-(419) 729-3291
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+91-(260)-2400888, 2400817
  • Fax:+91-(260)-2401743, 2432916
  • Tel:+1-(800)-523-2575
  • Fax:+1-(800)-343-3291
 
<