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21133-79-9 | 2,4-Pentanediol, 2-methyl-4-phenyl-
CAS No: 21133-79-9 Catalog No: AG002LAK MDL No:
Product Description
Catalog Number:
AG002LAK
Chemical Name:
2,4-Pentanediol, 2-methyl-4-phenyl-
CAS Number:
21133-79-9
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
2-methyl-4-phenylpentane-2,4-diol
InChI:
InChI=1S/C12H18O2/c1-11(2,13)9-12(3,14)10-7-5-4-6-8-10/h4-8,13-14H,9H2,1-3H3
InChI Key:
QYEYUUZUGQRIFI-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)(CC(O)(C)C)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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