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17961-14-7 | Hexanedioic acid, 1-hexyl ester
CAS No: 17961-14-7 Catalog No: AG00275G MDL No:
Product Description
Catalog Number:
AG00275G
Chemical Name:
Hexanedioic acid, 1-hexyl ester
CAS Number:
17961-14-7
Molecular Formula:
C12H21O4-
Molecular Weight:
229.2927
IUPAC Name:
6-hexoxy-6-oxohexanoate
InChI:
InChI=1S/C12H22O4/c1-2-3-4-7-10-16-12(15)9-6-5-8-11(13)14/h2-10H2,1H3,(H,13,14)/p-1
InChI Key:
JAWZFTORYMQYDT-UHFFFAOYSA-M
SMILES:
CCCCCCOC(=O)CCCCC(=O)[O-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.144g/mol
Formal Charge:
-1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.296g/mol
Monoisotopic Mass:
229.144g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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