Home Other Building Blocks 1,3-diethyl 2-(3-methylphenyl)propanedioate

1,3-diethyl 2-(3-methylphenyl)propanedioate

CAS No.:
94112-78-4
Catalog Number:
AG01AK3P
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
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Product Description
Catalog Number:
AG01AK3P
Chemical Name:
1,3-diethyl 2-(3-methylphenyl)propanedioate
CAS Number:
94112-78-4
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
MDL Number:
MFCD17338841
IUPAC Name:
diethyl 2-(3-methylphenyl)propanedioate
InChI:
InChI=1S/C14H18O4/c1-4-17-13(15)12(14(16)18-5-2)11-8-6-7-10(3)9-11/h6-9,12H,4-5H2,1-3H3
InChI Key:
FFYIODITVDPTDF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccc(c1)C)C(=O)OCC
Properties
Complexity:
270  
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:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties