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Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[3-(2,5-undecadien-1-yl)-2-oxiranyl]-
3748-16-1 structure

5-Heptenoic acid,7-[3-(2,5-undecadien-1-yl)-2-oxiranyl]-

Iupac Name:4-hydroxy-2-(hydroxymethyl)-1H-pyrimidin-6-one
CAS No.:3748-16-1
Molecular Weight:142.114
Molecular Formula:C22H38O4 (isomer)
Names and Identifiers
Synonyms

(+)8,9-epoxyeicosa-8z,11z,14z trienoic acid (+/-)8 9-epoxyeicosa-5z,11z,14z-trienoic acid (+/-)8,9-eet (+/-)8,9-epoxyeicosa-5z,11z,14z-trienoic acid (a+/-)8,9-epoxyeicosa-5z,11z,14z-trienoic acid 5-Heptenoicacid, 7-[3-(2,5-undecadienyl)oxiranyl]- (9CI) 7-(3-undeca-2,5-dienyloxiran-2-yl)hept-5-enoic acid 7-[3-(2,5-Undecadienyl)oxiranyl]-5-heptenoic acid 8,9-Epoxyeicosa-5,11,14-trienoic acid 8,9-Epoxyeicosatrienoic acid AC1L1CHI BIO1_000143 BIO1_000632 BIO1_001121 BIO2_000201 BIO2_000681 CBIOL_001857 KBIO2_000201 KBIO2_002769 KBIO2_005337 KBIO3_000401 KBIO3_000402 KBIOGR_000201 KBIOSS_000201

Inchi
InChI=1S/C5H6N2O3/c8-2-3-6-4(9)1-5(10)7-3/h1,8H,2H2,(H2,6,7,9,10)
InChkey
ODYIFWGZXQNVQI-UHFFFAOYSA-N
Canonical Smiles
C1=C(N=C(NC1=O)CO)O
Properties
Appearance
Clear oil
Density
1.21
Refractive Index
1.662
Flash Point
393.7°C
Solubility
Soluble in ethanol (50 mg/ ml)
HS Code
2933599090
Storage temp
−20°C
Safety and Handling
Safety
Hazard Codes:F,Xi
Risk Statements:11-36/37/38
11:Highly Flammable
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:16-26-36
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
RIDADR:UN 1170 3/PG 2
Specification

Safety Statements:16-26-36
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
Computational chemical data
  • Molecular Weight:142.114g/mol
  • Molecular Formula:C22H38O4
  • Compound Is Canonicalized:True
  • Exact Mass:142.038
  • Monoisotopic Mass:142.038
  • Complexity:219
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:10
  • 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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