5-Acetyl-2-methoxybenzoic acid

HCID 18954591CAS 68535-61-5
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(C)=O)cc1C(=O)O
InChIKey
GJDAMLVEFRMIHZ-UHFFFAOYSA-N
Molecular formula
C10H10O4
Average molar mass
194.18 g/mol
Monoisotopic mass
194.0579088

Names & identifiers

Preferred name
5-Acetyl-2-methoxybenzoic acid
IUPAC
5-acetyl-2-methoxybenzoic acid
English name
2-Methoxy-5-acetylbenzoic acid
Molecular formula
C10H10O4
Molecular weight
194.18

Names & synonyms

5-ACETYL-2-METHOXYBENZOIC ACID68535-61-5Benzoicacid, 5-acetyl-2-methoxy-MFCD12827984Benzoic acid, 5-acetyl-2-methoxy-2-Methoxy-5-acetylbenzoic acid5-acetyl-2-methoxy-benzoic acidSCHEMBL2087813SCHEMBL29956237DTXSID90596826GJDAMLVEFRMIHZ-UHFFFAOYSA-NCS-0195945
Show more names
E90775F633110

Database identifiers

CAS
68535-61-5
PubChem CID
18954591
DTXSID
DTXSID90596826
EC Number
614-577-7、922-513-7
Nikkaji
J3.627.906K

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Boiling point
393.4 · 393.4±27.0 °C(Predicted)
Density
1.232 · 1.232±0.06 g/cm3(Predicted)
pka
3.71 · 3.71±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers3 total

南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

35 records
New reaction record

Linked notes

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