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85018-89-9 | 2,9-DIMETHYL-2,9-DIPROPYL-DECANEDIOIC ACID
CAS No: 85018-89-9 Catalog No: AG004TDZ MDL No:
Product Description
Catalog Number:
AG004TDZ
Chemical Name:
2,9-DIMETHYL-2,9-DIPROPYL-DECANEDIOIC ACID
CAS Number:
85018-89-9
Molecular Formula:
C18H34O4
Molecular Weight:
314.4602
IUPAC Name:
2,9-dimethyl-2,9-dipropyldecanedioic acid
InChI:
InChI=1S/C18H34O4/c1-5-11-17(3,15(19)20)13-9-7-8-10-14-18(4,12-6-2)16(21)22/h5-14H2,1-4H3,(H,19,20)(H,21,22)
InChI Key:
VAQOGBCLEIYWDM-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)(CCCCCCC(C(=O)O)(CCC)C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.246g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.466g/mol
Monoisotopic Mass:
314.246g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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