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17913-76-7 | 4,7-Decanediol, 2,4,7,9-tetramethyl-
CAS No: 17913-76-7 Catalog No: AG0026TO MDL No:
Product Description
Catalog Number:
AG0026TO
Chemical Name:
4,7-Decanediol, 2,4,7,9-tetramethyl-
CAS Number:
17913-76-7
Molecular Formula:
C14H30O2
Molecular Weight:
230.3868
IUPAC Name:
2,4,7,9-tetramethyldecane-4,7-diol
InChI:
InChI=1S/C14H30O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,7-10H2,1-6H3
InChI Key:
BTRWELPXUDWAGW-UHFFFAOYSA-N
SMILES:
CC(CC(CCC(CC(C)C)(O)C)(O)C)C
NSC Number:
14264
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.225g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.392g/mol
Monoisotopic Mass:
230.225g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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