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114440-31-2 | Oxirane, 2-[[(ethenylphenyl)methoxy]methyl]-2-methyl- (9CI)
CAS No: 114440-31-2 Catalog No: AG000EDR MDL No:
Product Description
Catalog Number:
AG000EDR
Chemical Name:
Oxirane, 2-[[(ethenylphenyl)methoxy]methyl]-2-methyl- (9CI)
CAS Number:
114440-31-2
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
2-[(2-ethenylphenyl)methoxymethyl]-2-methyloxirane
InChI:
InChI=1S/C13H16O2/c1-3-11-6-4-5-7-12(11)8-14-9-13(2)10-15-13/h3-7H,1,8-10H2,2H3
InChI Key:
PXQLEKWAPJXKMA-UHFFFAOYSA-N
SMILES:
C=Cc1ccccc1COCC1(C)CO1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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