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130065-94-0 | Cyclohexaneacetic acid, 1-carboxy-4,4-dipropyl-
CAS No: 130065-94-0 Catalog No: AG000TZ6 MDL No:
Product Description
Catalog Number:
AG000TZ6
Chemical Name:
Cyclohexaneacetic acid, 1-carboxy-4,4-dipropyl-
CAS Number:
130065-94-0
Molecular Formula:
C15H26O4
Molecular Weight:
270.3645
IUPAC Name:
1-(carboxymethyl)-4,4-dipropylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H26O4/c1-3-5-14(6-4-2)7-9-15(10-8-14,13(18)19)11-12(16)17/h3-11H2,1-2H3,(H,16,17)(H,18,19)
InChI Key:
RFTOLBKVUBYHIF-UHFFFAOYSA-N
SMILES:
CCCC1(CCC)CCC(CC1)(CC(=O)O)C(=O)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.369g/mol
Monoisotopic Mass:
270.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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