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124524-69-2 | Benzenepentanoic acid, 2-methoxy-δ-oxo-, ethyl ester
CAS No: 124524-69-2 Catalog No: AG000M5N MDL No:MFCD01311632
Product Description
Catalog Number:
AG000M5N
Chemical Name:
Benzenepentanoic acid, 2-methoxy-δ-oxo-, ethyl ester
CAS Number:
124524-69-2
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
MDL Number:
MFCD01311632
IUPAC Name:
ethyl 5-(2-methoxyphenyl)-5-oxopentanoate
InChI:
InChI=1S/C14H18O4/c1-3-18-14(16)10-6-8-12(15)11-7-4-5-9-13(11)17-2/h4-5,7,9H,3,6,8,10H2,1-2H3
InChI Key:
CNJCVYRFXWNVPG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccccc1OC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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