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114804-19-2 | Decanedioic acid, 5-ethyl-
CAS No: 114804-19-2 Catalog No: AG000F98 MDL No:
Product Description
Catalog Number:
AG000F98
Chemical Name:
Decanedioic acid, 5-ethyl-
CAS Number:
114804-19-2
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
IUPAC Name:
5-ethyldecanedioic acid
InChI:
InChI=1S/C12H22O4/c1-2-10(7-5-9-12(15)16)6-3-4-8-11(13)14/h10H,2-9H2,1H3,(H,13,14)(H,15,16)
InChI Key:
XYQBPYXKPLWSGP-UHFFFAOYSA-N
SMILES:
CCC(CCCC(=O)O)CCCCC(=O)O
Properties
Complexity:
213
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:
2
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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