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29756-52-3 | Oxirane, 2-[(butylphenoxy)methyl]-
CAS No: 29756-52-3 Catalog No: AG002ZAR MDL No:
Product Description
Catalog Number:
AG002ZAR
Chemical Name:
Oxirane, 2-[(butylphenoxy)methyl]-
CAS Number:
29756-52-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
2-[(2-butylphenoxy)methyl]oxirane
InChI:
InChI=1S/C13H18O2/c1-2-3-6-11-7-4-5-8-13(11)15-10-12-9-14-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3
InChI Key:
HJEORQYOUWYAMR-UHFFFAOYSA-N
SMILES:
CCCCc1ccccc1OCC1CO1
Properties
Complexity:
181
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:
6
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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