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148772-56-9 | Oxirane, 2-[(heptylphenoxy)methyl]-
CAS No: 148772-56-9 Catalog No: AG001L6K MDL No:
Product Description
Catalog Number:
AG001L6K
Chemical Name:
Oxirane, 2-[(heptylphenoxy)methyl]-
CAS Number:
148772-56-9
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
IUPAC Name:
2-[(2-heptylphenoxy)methyl]oxirane
InChI:
InChI=1S/C16H24O2/c1-2-3-4-5-6-9-14-10-7-8-11-16(14)18-13-15-12-17-15/h7-8,10-11,15H,2-6,9,12-13H2,1H3
InChI Key:
ABTAANTUIVCOTF-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccccc1OCC1CO1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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