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5380-87-0 molecular structure
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2-[(oxiran-2-ylmethoxy)methyl]furan

ChemBase ID: 120509
Molecular Formular: C8H10O3
Molecular Mass: 154.1632
Monoisotopic Mass: 154.06299418
SMILES and InChIs

SMILES:
O1C(C1)COCc1occc1
Canonical SMILES:
O(Cc1ccco1)CC1CO1
InChI:
InChI=1S/C8H10O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h1-3,8H,4-6H2
InChIKey:
RUGWIVARLJMKDM-UHFFFAOYSA-N

Cite this record

CBID:120509 http://www.chembase.cn/molecule-120509.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(oxiran-2-ylmethoxy)methyl]furan
IUPAC Traditional name
2-[(oxiran-2-ylmethoxy)methyl]furan
Synonyms
2-((oxiran-2-ylmethoxy)methyl)furan
2,3-Epoxypropyl 2-furylmethyl ether
2-[(Oxiranylmethoxy)methyl]furan
Furfuryl glycidyl ether
2,3-环氧丙基2-呋喃基甲醚
呋喃甲基缩水甘油醚
缩水甘油糠醚
CAS Number
5380-87-0
EC Number
226-372-6
MDL Number
MFCD00013348
PubChem SID
24859513
162214862
PubChem CID
94306

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 94306 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7505358  LogD (pH = 7.4) 0.7505358 
Log P 0.7505358  Molar Refractivity 38.7607 cm3
Polarizability 15.251115 Å3 Polar Surface Area 34.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
103-104 °C/11 mmHg(lit.) expand Show data source
Flash Point
102 °C expand Show data source
215.6 °F expand Show data source
Density
1.122 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.481(lit.) expand Show data source
RTECS
LU1423000 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 expand Show data source
Purity
96% expand Show data source
Empirical Formula (Hill Notation)
C8H10O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 325481 external link
Packaging
25 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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