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113435-96-4 | 4-Octyne-2,6-diol, 2,7-dimethyl-
CAS No: 113435-96-4 Catalog No: AG0008KX MDL No:
Product Description
Catalog Number:
AG0008KX
Chemical Name:
4-Octyne-2,6-diol, 2,7-dimethyl-
CAS Number:
113435-96-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
2,7-dimethyloct-4-yne-2,6-diol
InChI:
InChI=1S/C10H18O2/c1-8(2)9(11)6-5-7-10(3,4)12/h8-9,11-12H,7H2,1-4H3
InChI Key:
SEGUXUARZXHZOA-UHFFFAOYSA-N
SMILES:
CC(C(C#CCC(O)(C)C)O)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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