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Home> Hot Product Listed 2   > 2H-1-Benzopyran-3-ol,octahydro-2,2-dimethyl-, 3-acetate, (3R,4aS,8aR)-rel-
35661-39-3 structure

2H-1-Benzopyran-3-ol,octahydro-2,2-dimethyl-, 3-acetate, (3R,4aS,8aR)-rel-

Iupac Name:2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CAS No.:35661-39-3
Molecular Weight:311.33188
Molecular Formula:C13H10O3 (isomer)
Names and Identifiers
Synonyms

(3s,4ar,8as)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl acetate (3s,4ar,8as)-2,2-dimethyl-octahydro-1-benzopyran-3-yl acetate [(3s,4ar,8as)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl] acetate 2H-1-Benzopyran-3-ol,octahydro-2,2-dimethyl-, acetate, (3a,4ab,8aa)- (9CI) AC1L48C8

Inchi
InChI=1/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)
Canonical Smiles
CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Properties
Melting Point
150-154℃
Boiling Point
266°Cat760mmHg
Refractive Index
-18.5 ° (C=1, DMF)
Flash Point
550.5°C
Alpha
-19 o (C=1,DMF)
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Transport
OTH
Reach Info
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:311.33188g/mol
  • Molecular Formula:C13H10O3
  • Exact Mass:311.115758
  • Monoisotopic Mass:311.115758
  • Complexity:430
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6
  • Heavy Atom Count:23
  • 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
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Recommended Suppliers
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  • Fax:+86-0592-5567629
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  • Fax:86-371-86658258
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