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177736-20-8

177736-20-8 | Benzenebutanoic acid, 4-formyl-, ethyl ester

CAS No: 177736-20-8 Catalog No: AG0025HZ MDL No:

Product Description

Catalog Number:
AG0025HZ
Chemical Name:
Benzenebutanoic acid, 4-formyl-, ethyl ester
CAS Number:
177736-20-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
ethyl 4-(4-formylphenyl)butanoate
InChI:
InChI=1S/C13H16O3/c1-2-16-13(15)5-3-4-11-6-8-12(10-14)9-7-11/h6-10H,2-5H2,1H3
InChI Key:
CEMKFRKKGZICMS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCc1ccc(cc1)C=O

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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