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885279-96-9 | Ethyl 2-(3-methoxybenzyl)-3-oxohexanoate
CAS No: 885279-96-9 Catalog No: AG004593 MDL No:MFCD06658445
Product Description
Catalog Number:
AG004593
Chemical Name:
Ethyl 2-(3-methoxybenzyl)-3-oxohexanoate
CAS Number:
885279-96-9
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
MDL Number:
MFCD06658445
IUPAC Name:
ethyl 2-[(3-methoxyphenyl)methyl]-3-oxohexanoate
InChI:
InChI=1S/C16H22O4/c1-4-7-15(17)14(16(18)20-5-2)11-12-8-6-9-13(10-12)19-3/h6,8-10,14H,4-5,7,11H2,1-3H3
InChI Key:
SRCCKFZPOLVTMF-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(C(=O)OCC)Cc1cccc(c1)OC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.348g/mol
Monoisotopic Mass:
278.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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