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127659-05-6 | Oxirane, [[(1-methylpropyl)phenoxy]methyl]- (9CI)
CAS No: 127659-05-6 Catalog No: AG000X9M MDL No:
Product Description
Catalog Number:
AG000X9M
Chemical Name:
Oxirane, [[(1-methylpropyl)phenoxy]methyl]- (9CI)
CAS Number:
127659-05-6
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
2-[(2-butan-2-ylphenoxy)methyl]oxirane
InChI:
InChI=1S/C13H18O2/c1-3-10(2)12-6-4-5-7-13(12)15-9-11-8-14-11/h4-7,10-11H,3,8-9H2,1-2H3
InChI Key:
WAPRZVXVTPSWEB-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1OCC1CO1)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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