Methyl 2-(3-formyl-4-hydroxyphenyl)acetate

HCID 12374099CAS 61874-04-2
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)Cc1ccc(O)c(C=O)c1
InChIKey
NUMJEIDLAXIVPL-UHFFFAOYSA-N
Molecular formula
C10H10O4
Average molar mass
194.18 g/mol
Monoisotopic mass
194.0579088

Names & identifiers

Preferred name
Methyl 2-(3-formyl-4-hydroxyphenyl)acetate
IUPAC
methyl 2-(3-formyl-4-hydroxyphenyl)acetate
English name
4-Hydroxy-3-carboxaldehydeacetic acid methyl ester
Molecular formula
C10H10O4
Molecular weight
194.18

Names & synonyms

Methyl 2-(3-formyl-4-hydroxyphenyl)acetate61874-04-24-Hydroxy-3-carboxaldehydeacetic acid methyl esterMFCD04972464BENZENEACETIC ACID, 3-FORMYL-4-HYDROXY-, METHYL ESTEREthyl 2-(3-formyl-4-hydroxyphenyl)acetatemethyl (3-formyl-4-hydroxyphenyl)acetateMethyl2-(3-formyl-4-hydroxyphenyl)acetatemethyl 2-(3-formyl-4-hydroxy-phenyl)acetateSCHEMBL1303666DTXSID80494988NUMJEIDLAXIVPL-UHFFFAOYSA-N
Show more names
3-Formyl-4-hydroxyphenylacetic acid methyl ester4-HYDROXY-3-FORMYL-PHENYLACETIC ACID METHYL ESTER
AKOS006292950AB21066CS-W020458AC-12908AS-33188Methyl 3-formyl-4-hydroxy phenyl acetatemethyl 3-formyl-4-hydroxy-phenyl-acetatemethyl(3-formyl-4-hydroxyphenyl)-acetate

Database identifiers

CAS
61874-04-2
PubChem CID
12374099
DTXSID
DTXSID80494988

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Boiling point
300.2 · 300.2±32.0 °C(Predicted)
Density
1.274 · 1.274±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
solid
pka
7.98 · 7.98±0.18(Predicted)
InChI
1S/C10H10O4/c1-14-10(13)5-7-2-3-9(12)8(4-7)6-11/h2-4,6,12H,5H2,1H3

Safety & regulation

Safety data

wgk
WGK 3
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
Storage Class
11 - Combustible Solids

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

15 records
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Linked notes

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