Home Other Building Blocks ethyl 2-(3-methylbenzoyl)butanoate

ethyl 2-(3-methylbenzoyl)butanoate

CAS No.:
1281443-63-7
Catalog Number:
AG01A2A0
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
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Product Description
Catalog Number:
AG01A2A0
Chemical Name:
ethyl 2-(3-methylbenzoyl)butanoate
CAS Number:
1281443-63-7
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD16502465
IUPAC Name:
ethyl 2-(3-methylbenzoyl)butanoate
InChI:
InChI=1S/C14H18O3/c1-4-12(14(16)17-5-2)13(15)11-8-6-7-10(3)9-11/h6-9,12H,4-5H2,1-3H3
InChI Key:
QJIDTMZMSSKLCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1cccc(c1)C)CC
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties