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16343-75-2 | 1,3-Butanediol, 2,2,3-trimethyl-
CAS No: 16343-75-2 Catalog No: AG001U3V MDL No:
Product Description
Catalog Number:
AG001U3V
Chemical Name:
1,3-Butanediol, 2,2,3-trimethyl-
CAS Number:
16343-75-2
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
IUPAC Name:
2,2,3-trimethylbutane-1,3-diol
InChI:
InChI=1S/C7H16O2/c1-6(2,5-8)7(3,4)9/h8-9H,5H2,1-4H3
InChI Key:
FWRDQCHWQGNXNZ-UHFFFAOYSA-N
SMILES:
OCC(C(O)(C)C)(C)C
Properties
Complexity:
95.1
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:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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