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7150-01-8 molecular structure
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2-formyl-6-methoxyphenyl acetate

ChemBase ID: 137762
Molecular Formular: C10H10O4
Molecular Mass: 194.184
Monoisotopic Mass: 194.0579088
SMILES and InChIs

SMILES:
CC(=O)Oc1c(cccc1OC)C=O
Canonical SMILES:
COc1cccc(c1OC(=O)C)C=O
InChI:
InChI=1S/C10H10O4/c1-7(12)14-10-8(6-11)4-3-5-9(10)13-2/h3-6H,1-2H3
InChIKey:
XRERBLZFZMBKRU-UHFFFAOYSA-N

Cite this record

CBID:137762 http://www.chembase.cn/molecule-137762.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-formyl-6-methoxyphenyl acetate
IUPAC Traditional name
2-formyl-6-methoxyphenyl acetate
Synonyms
2-Acetoxy-3-anisaldehyde
2-Acetoxy-3-methoxybenzaldehyde
2-乙酰氧基-3-甲氧基苯甲醛
CAS Number
7150-01-8
MDL Number
MFCD00582171
PubChem SID
24879324
162232023
PubChem CID
251703

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
553360 external link Add to cart Please log in.
Data Source Data ID
PubChem 251703 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1353378  LogD (pH = 7.4) 1.1353378 
Log P 1.1353378  Molar Refractivity 50.2376 cm3
Polarizability 19.210314 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
74-77 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3OC6H3(OCOCH3)CHO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 553360 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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