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((o-Allylphenoxy)methyl)oxirane

HCID 98437
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4638-04-4
Standard SMILES
C=CCc1ccccc1OCC1CO1
InChIKey
XENMLDGAMXHYMH-UHFFFAOYSA-N
Molecular formula
C12H14O2
Average molar mass
190.24 g/mol
Monoisotopic mass
190.09937969

Names & identifiers

Preferred name
((o-Allylphenoxy)methyl)oxirane
IUPAC
2-[(2-prop-2-enylphenoxy)methyl]oxirane
English name
[(o-allylphenoxy)methyl]oxirane
Molecular formula
C12H14O2
Molecular weight
190.24

Names & synonyms

4638-04-4((o-Allylphenoxy)methyl)oxirane2-{[2-(prop-2-en-1-yl)phenoxy]methyl}oxirane2-[2-(prop-2-en-1-yl)phenoxymethyl]oxirane2-[(2-prop-2-enylphenoxy)methyl]oxirane[(O-ALLYLPHENOXY)METHYL]OXIRANENSC130121o-allylphenyl glycidyl ether2-allylphenyl glycidyl ethero-allyl phenyl glycidyl etherSCHEMBL251705SCHEMBL30170490
Show more names
1-Allyl-2-(glycidyloxy)benzene2-(2-Propenyl)phenylglycidyl etherOxirane, 2-[[2-(2-propen-1-yl)phenoxy]methyl]-
DTXSID801367512EINECS 225-064-9BBL0282341-(2-allylphenoxy)-2,3-epoxypropaneAKOS001176755AKOS016051065NSC 130121NSC-130121

Database identifiers

CAS
4638-04-4
PubChem CID
98437
DTXSID
DTXSID801367512
EC Number
225-064-9
Nikkaji
J175.827F

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
21.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Formal charge
0
Complexity
191

Physicochemical properties

Boiling point
100 · 100-103 °C(Press: 0.6 Torr)
Density
1.067 · 1.067±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers1 total

药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]

Related reactions

7 records
New reaction record
HRID 846138 reaction equation
HRID 846138As reactantuspto-grants-1992_08
HRID 949083 reaction equation
HRID 949083As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1439808 reaction equation
HRID 1439808As reactantuspto-grants-1977_11
HRID 1544799 reaction equation
HRID 1544799As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1904395 reaction equation
HRID 1904395As productuspto-grants-1989_06
HRID 2126524 reaction equation
HRID 2126524As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2208626 reaction equation
HRID 2208626As productuspto-grants-2016_06

Compound notes

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