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693-55-0

693-55-0 | Decanedioic acid,1-ethyl ester

CAS No: 693-55-0 Catalog No: AG006FUJ MDL No:

Product Description

Catalog Number:
AG006FUJ
Chemical Name:
Decanedioic acid,1-ethyl ester
CAS Number:
693-55-0
Molecular Formula:
C12H21O4-
Molecular Weight:
229.2927
IUPAC Name:
10-ethoxy-10-oxodecanoic acid
InChI:
InChI=1S/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)
InChI Key:
DLZCDMPHHUODDO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCCCC(=O)[O-]
EC Number:
211-753-1
NSC Number:
53961

Properties

Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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