Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed O   > OPREA1_776788
9003-04-7 structure

OPREA1_776788

Iupac Name:prop-2-enoic acid
CAS No.:9003-04-7
Molecular Formula:C17H14N2O4S (isomer)
Names and Identifiers
Synonyms

3-(carboxymethyl)-5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylic acid 4-(carboxymethyl)-2-methyl-5-oxo-1,4-dihydropyrrole-3-carboxylic acid 4-(carboxymethyl)-2-methyl-5-oxo-4,5-dihydro-1h-pyrrole-3-carboxylic acid AC1MR5NC AKOS006276847 bb_nc-00385 BB_NC-0385 BBL029488 fch844874 MCULE-1951486931 MOLPORT-002-507-021 STL343849

Inchi
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
InChkey
NIXOWILDQLNWCW-UHFFFAOYSA-N
Canonical Smiles
C=CC(=O)O
Properties
Melting Point
12.5 deg C
Vapour
4 mm Hg ( 20 °C)
Refractive Index
n20/D 1.43
HS Code
29161110
Safety and Handling
Risk Statements
36/37/38-36
Safety Statements
26-36
PackingGroup
II
Transport
UN 3265 8/PG 3
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 9003-04-7 EC: OPREA1_776788 ·ECHA C&L Inventory for CAS: CAS: 9003-04-7 EC: OPREA1_776788
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:g/mol
  • Molecular Formula:C17H14N2O4S
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.3
  • Exact Mass:72.021
  • Monoisotopic Mass:72.021
  • Complexity:55.9
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:5
  • 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: AAADcYBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAAACAAAAgCI ACDSCAAAAAAAAAAIAAAAAEAABAAAAAAAAAAAAAAAEIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-21-31037310
  • Fax:86-21-61923461
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-311-82179998
  • Fax:86-0311-82179998
  • Tel:86-27-85442017
  • Fax:86-027-85442017
  • Tel:86-20-18102838259
  • Fax:86-0755-23229476
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-21-31037310
  • Fax:86-21-61923461
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-311-82179998
  • Fax:86-0311-82179998
  • Tel:86-27-85442017
  • Fax:86-027-85442017
  • Tel:86-20-18102838259
  • Fax:86-0755-23229476
 
<