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Home> Encyclopedia > Hot Product Listed 6   > 6H-Phenanthro[1,10a-c]furan-3-carboxylicacid, tetradecahydro-9,9,12a-trimethyl-4-oxo-, methyl ester,...
68-41-7 structure

6H-Phenanthro[1,10a-c]furan-3-carboxylicacid, tetradecahydro-9,9,12a-trimethyl-4-oxo-, methyl ester,(3R,3aR,6aS,8aS,12aS,12bR)-

Iupac Name:(4R)-4-amino-1,2-oxazolidin-3-one
CAS No.:68-41-7
Molecular Weight:102.093
Molecular Formula:C7H8N4S (isomer)
Names and Identifiers
Synonyms

6H-Phenanthro[1,10a-c]furan-3-carboxylicacid, tetradecahydro-9,9,12a-trimethyl-4-oxo-, methyl ester, [3R-(3a,3ab,6aS*,8ab,12aa,12bb)]- Dendrillol 3

Inchi
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1
InChkey
DYDCUQKUCUHJBH-UWTATZPHSA-N
Canonical Smiles
C1C(C(=O)NO1)N
Isomers Smiles
C1[C@H](C(=O)NO1)N
Properties
Density
1.03
Melting Point
147℃
Boiling Point
120.5°Cat760mmHg
Flash Point
320.1ºC
Alpha
111 o (C=5, 2N NAOH)
HS Code
2934999090
Safety and Handling
Risk Statements
R5
Safety Statements
S24/25
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:102.093g/mol
  • Molecular Formula:C7H8N4S
  • Compound Is Canonicalized:True
  • Exact Mass:102.043
  • Monoisotopic Mass:102.043
  • Complexity:92.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:64.4A^2
  • Heavy Atom Count:7
  • 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: AAADcYBDMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAUAAAACCjhgAYAAABQAAAI AAEQEAAAAAAAAAAgAIGAAAACQAQAAAAAAAACMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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