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Home> Hot Product Listed 1   > 1H-Inden-1-ol, 2-chloro-2,3-dihydro-, acetate, trans-
68515-47-9 structure

1H-Inden-1-ol, 2-chloro-2,3-dihydro-, acetate, trans-

CAS No.:68515-47-9
Molecular Weight:530.82192
Molecular Formula:C16H17NO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3
Canonical Smiles
CC(C)CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC(C)C
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Condensia Quimica SA 2015
ExxonMobil Chemical Holland B.V. 2015
ExxonMobil Petroleum & Chemical BVBA OR01 2015
more >
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:530.82192g/mol
  • Molecular Formula:C16H17NO2
  • XLogP3-AA:13.9
  • Exact Mass:530.43351
  • Monoisotopic Mass:530.43351
  • Complexity:521
  • Rotatable Bond Count:26
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6
  • Heavy Atom Count:38
  • 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
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