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80909-99-5

80909-99-5 | 2-{[(2-METHOXYBENZYL)OXY]METHYL}OXIRANE

CAS No: 80909-99-5 Catalog No: AG0056XN MDL No:MFCD06357343

Product Description

Catalog Number:
AG0056XN
Chemical Name:
2-{[(2-METHOXYBENZYL)OXY]METHYL}OXIRANE
CAS Number:
80909-99-5
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD06357343
IUPAC Name:
2-[(2-methoxyphenyl)methoxymethyl]oxirane
InChI:
InChI=1S/C11H14O3/c1-12-11-5-3-2-4-9(11)6-13-7-10-8-14-10/h2-5,10H,6-8H2,1H3
InChI Key:
FADQCEBBTITJBI-UHFFFAOYSA-N
SMILES:
COc1ccccc1COCC1CO1

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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