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102439-64-5 | 1,5-Pentanediol, 3-methyl-3-propyl-
CAS No: 102439-64-5 Catalog No: AG0007HS MDL No:
Product Description
Catalog Number:
AG0007HS
Chemical Name:
1,5-Pentanediol, 3-methyl-3-propyl-
CAS Number:
102439-64-5
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
IUPAC Name:
3-methyl-3-propylpentane-1,5-diol
InChI:
InChI=1S/C9H20O2/c1-3-4-9(2,5-7-10)6-8-11/h10-11H,3-8H2,1-2H3
InChI Key:
ZYMZOXYWJVZUES-UHFFFAOYSA-N
SMILES:
CCCC(CCO)(CCO)C
Properties
Complexity:
85.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.146g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.257g/mol
Monoisotopic Mass:
160.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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