2-Propenoic acid, 3-(4-formylphenyl)-

HCID 98077
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
23359-08-2
Standard SMILES
O=Cc1ccc(C=CC(=O)O)cc1
InChIKey
LBOUHDMYVURTMA-UHFFFAOYSA-N
Molecular formula
C10H8O3
Average molar mass
176.17 g/mol
Monoisotopic mass
176.04734412

Names & identifiers

Preferred name
2-Propenoic acid, 3-(4-formylphenyl)-
IUPAC
3-(4-formylphenyl)prop-2-enoic acid
English name
4-Formylcinnamic acid
Molecular formula
C10H8O3
Molecular weight
176.17

Names & synonyms

2-Propenoic acid, 3-(4-formylphenyl)-3-(4-formylphenyl)prop-2-enoic acidMFCD00006955Ozagrel Impurity 46(2E)-3-(4-formylphenyl)acrylic acid4-formyl cinnamic acid3-(4-Formylphenyl)acrylic Acid, Predominantly transSCHEMBL210125LBOUHDMYVURTMA-UHFFFAOYSA-NDTXSID2012928183-(4-formyl-phenyl)-acrylic acidOzagrel Impurity 26 predominantly trans
Show more names
(E)-3-(4-forMylphenyl)acrylic acid4-FormylcinAKOS BAR-2472p-FormylcinnamicP-Methoxycinnamate4-Formylciamic acidOzagrel Impurity 344-Formylcinnamicacip-formylcinnamic acid4-FORMYLCINNAMIC ACID
SY061051DB-0461333-(4-FORMYLPHENYL)-2-PROPENOIC ACIDD87889p-Formylcinnamic acid; 4-Formylcinnamic acid; 3-(4-formylphenyl)acrylic acid

Database identifiers

CAS
23359-08-2
PubChem CID
98077
DTXSID
DTXSID201292818

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Melting point
251 · 251-254 °C (dec.)(lit.)
Boiling point
247.77 °C · 247.77°C (rough estimate)
Density
1.1795 · 1.1795 (rough estimate)
refractive index
1.45 · 1.4500 (estimate)
storage temp.
2 · 2-8°C, stored under nitrogen
pka
4.25 · 4.25±0.10(Predicted)

Safety & regulation

Safety data

wgk
3
hs_code
29183000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses4-Formylcinnamic acid may be used in the synthesis of (E)-4-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)-ethynyl]-cinnamic acid.

Upstream & downstream products

Downstream products

Suppliers74 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]

Related reactions

78 records
New reaction record

Compound notes

Loading…