Home Other Building Blocks 2-(3-Methoxy-benzyl)-3-oxo-hexanoic acid ethyl ester

2-(3-Methoxy-benzyl)-3-oxo-hexanoic acid ethyl ester

CAS No.:
885279-96-9
Catalog Number:
AG004593
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 96% (HPLC)
1 week
United States
$102
- +
250mg
≥ 96% (HPLC)
1 week
United States
$167
- +
1g
95%
1 week
United States
$282
- +
Product Description
Catalog Number:
AG004593
Chemical Name:
2-(3-Methoxy-benzyl)-3-oxo-hexanoic acid ethyl ester
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  
Properties