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146450-45-5 | Heptanoic acid, 3-oxo-7-(phenylmethoxy)-, ethyl ester
CAS No: 146450-45-5 Catalog No: AG001E1M MDL No:
Product Description
Catalog Number:
AG001E1M
Chemical Name:
Heptanoic acid, 3-oxo-7-(phenylmethoxy)-, ethyl ester
CAS Number:
146450-45-5
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
IUPAC Name:
ethyl 3-oxo-7-phenylmethoxyheptanoate
InChI:
InChI=1S/C16H22O4/c1-2-20-16(18)12-15(17)10-6-7-11-19-13-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3
InChI Key:
SSVYAVRWPWSIBE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)CCCCOCc1ccccc1
Properties
Complexity:
282
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:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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