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85228-93-9 | Tridecanedioic acid, 2,2-dimethyl-, 13-(1,1-dimethylethyl) ester
CAS No: 85228-93-9 Catalog No: AG004M3N MDL No:
Product Description
Catalog Number:
AG004M3N
Chemical Name:
Tridecanedioic acid, 2,2-dimethyl-, 13-(1,1-dimethylethyl) ester
CAS Number:
85228-93-9
Molecular Formula:
C19H35O4-
Molecular Weight:
327.4788
IUPAC Name:
2,2-dimethyl-13-[(2-methylpropan-2-yl)oxy]-13-oxotridecanoate
InChI:
InChI=1S/C19H36O4/c1-18(2,3)23-16(20)14-12-10-8-6-7-9-11-13-15-19(4,5)17(21)22/h6-15H2,1-5H3,(H,21,22)/p-1
InChI Key:
YSYRUJQTAPSNER-UHFFFAOYSA-M
SMILES:
O=C(OC(C)(C)C)CCCCCCCCCCC(C(=O)[O-])(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.254g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.485g/mol
Monoisotopic Mass:
327.254g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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