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(2E)-3-(5-Phenyl-2-furanyl)-2-propenoic acid

HCID 836337
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
62806-33-1
Standard SMILES
O=C(O)/C=C/c1ccc(-c2ccccc2)o1
InChIKey
GGEKLCJBCQCQPL-VQHVLOKHSA-N
Molecular formula
C13H10O3
Average molar mass
214.22 g/mol
Monoisotopic mass
214.06299418

Names & identifiers

Preferred name
(2E)-3-(5-Phenyl-2-furanyl)-2-propenoic acid
IUPAC
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
English name
3-(5-PHENYL-FURAN-2-YL)-ACRYLIC ACID
Molecular formula
C13H10O3
Molecular weight
214.22

Names & synonyms

62806-33-1(2E)-3-(5-Phenyl-2-furanyl)-2-propenoic acidRefChem:2064623-(5-Phenyl-furan-2-yl)-acrylic acid(E)-3-(5-phenylfuran-2-yl)acrylic acid(2E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acidBAS 001264133-(5-phenyl-furan-2-yl)acrylic acid(2E)-3-(5-phenyl-2-furyl)acrylic acid(e)-3-(5-phenyl-furan-2-yl)-acrylic acidSCHEMBL4350254
Show more names
AKOS BB-8376ASISCHEM Z25585RARECHEM AL BK 08843-(5-PHENYL-2-FURYL)-2-PROPENOIC ACID2-Propenoic acid, 3-(5-phenyl-2-furanyl)-, (2E)-
GGEKLCJBCQCQPL-VQHVLOKHSA-NDTXSID301257229HMS1671G193-(5-phenyl-2-furyl)acrylic acidMFCD00691306STK2437343-(5-Phenylfuran-2-yl)acrylic acidAKOS000109369

Database identifiers

CAS
62806-33-1
PubChem CID
836337
DTXSID
DTXSID301257229
EC Number
663-508-7
Nikkaji
J2.919.948E

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
50.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
266

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

Related reactions

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Compound notes

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