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78-26-2 | 2,2-Bis(Hydroxymethyl)Pentane
CAS No: 78-26-2 Catalog No: AG0032WP MDL No:MFCD00004696
Product Description
Catalog Number:
AG0032WP
Chemical Name:
2,2-Bis(Hydroxymethyl)Pentane
CAS Number:
78-26-2
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
MDL Number:
MFCD00004696
IUPAC Name:
2-methyl-2-propylpropane-1,3-diol
InChI:
InChI=1S/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3
InChI Key:
JVZZUPJFERSVRN-UHFFFAOYSA-N
SMILES:
CCCC(CO)(CO)C
EC Number:
201-099-5
UNII:
YLM5KRU0P4
NSC Number:
26233
Properties
Complexity:
67.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.203g/mol
Monoisotopic Mass:
132.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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