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116144-74-2 | Benzenepropanoic acid, 4-(2-oxiranylmethoxy)-, cyclohexyl ester
CAS No: 116144-74-2 Catalog No: AG000BQZ MDL No:
Product Description
Catalog Number:
AG000BQZ
Chemical Name:
Benzenepropanoic acid, 4-(2-oxiranylmethoxy)-, cyclohexyl ester
CAS Number:
116144-74-2
Molecular Formula:
C18H24O4
Molecular Weight:
304.3808
IUPAC Name:
cyclohexyl 3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
InChI:
InChI=1S/C18H24O4/c19-18(22-16-4-2-1-3-5-16)11-8-14-6-9-15(10-7-14)20-12-17-13-21-17/h6-7,9-10,16-17H,1-5,8,11-13H2
InChI Key:
NIBPKAOUQKGLCN-UHFFFAOYSA-N
SMILES:
O=C(OC1CCCCC1)CCc1ccc(cc1)OCC1CO1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.167g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.386g/mol
Monoisotopic Mass:
304.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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