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132505-76-1 | Dodecanedioic acid, 1-(1-methylpropyl) ester
CAS No: 132505-76-1 Catalog No: AG0010R4 MDL No:
Product Description
Catalog Number:
AG0010R4
Chemical Name:
Dodecanedioic acid, 1-(1-methylpropyl) ester
CAS Number:
132505-76-1
Molecular Formula:
C16H29O4-
Molecular Weight:
285.3991
IUPAC Name:
12-butan-2-yloxy-12-oxododecanoate
InChI:
InChI=1S/C16H30O4/c1-3-14(2)20-16(19)13-11-9-7-5-4-6-8-10-12-15(17)18/h14H,3-13H2,1-2H3,(H,17,18)/p-1
InChI Key:
TYIHNJFSIHDHQX-UHFFFAOYSA-M
SMILES:
CCC(OC(=O)CCCCCCCCCCC(=O)[O-])C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.207g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.404g/mol
Monoisotopic Mass:
285.207g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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