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Home> Encyclopedia > Hot Product Listed 2   > 2-Propenoic acid,3-bicyclo[2.2.1]hept-5-en-2-yl-
98546-51-1 structure

2-Propenoic acid,3-bicyclo[2.2.1]hept-5-en-2-yl-

Iupac Name:(4-methylsulfanylphenyl)boronic acid
CAS No.:98546-51-1
Molecular Weight:168.017
Molecular Formula:C17H11CL3N2O (isomer)
Names and Identifiers
Synonyms

(2e)-3-{bicyclo[2.2.1]hept-5-en-2-yl}prop-2-enoic acid (2e)-3-bicyclo[2.2.1]hept-5-en-2-yl-2-propenoic acid (2e)-3-bicyclo[2.2.1]hept-5-en-2-yl-2-propenoic acid # 2-propenoic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl- 3-(5-Norbornen-2-yl)acrylic acid 3-(bicyclo[2.2.1]hept-5-en-2-yl)acrylic acid 3-(bicyclo[2.2.1]hept-5-en-2-yl)prop-2-enoic acid 3-(Bicyclo[2.2.1]hept-5-en-2-yl)propenoic acid 3-(Norborn-5-en-2-yl)acrylic acid 5-NORBORNENE-2-ACRYLIC ACID 5-Norbornene-2-acrylicacid (8CI) AC1Q5T9I AC1Q71Y2 AK395373 AKOS027381451 norborn-5-en-2-acrylic acid norborn-5-en-2-ylacrylic acid Norborn-5-ene-2-acrylic acid PSQVRPSVCYLDTE-ONEGZZNKSA-N SCHEMBL600200

Inchi
InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChkey
IVUHTLFKBDDICS-UHFFFAOYSA-N
Canonical Smiles
B(C1=CC=C(C=C1)SC)(O)O
Properties
Melting Point
210-214℃
Boiling Point
254.2°C at 760 mmHg
Refractive Index
1.583
HS Code
2931900090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:168.017g/mol
  • Molecular Formula:C17H11CL3N2O
  • Compound Is Canonicalized:True
  • Exact Mass:168.042
  • Monoisotopic Mass:168.042
  • Complexity:113
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:65.8A^2
  • Heavy Atom Count:11
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccJgMABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAoGAQACAAACACAUACyAYAAAAiA ACBCAAACAAAgCBAIiBgAAIgIICKgERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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