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89358-05-4 | 2,4-Pentanediol, 2-methyl-1-phenyl-
CAS No: 89358-05-4 Catalog No: AG003Z7O MDL No:
Product Description
Catalog Number:
AG003Z7O
Chemical Name:
2,4-Pentanediol, 2-methyl-1-phenyl-
CAS Number:
89358-05-4
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
2-methyl-1-phenylpentane-2,4-diol
InChI:
InChI=1S/C12H18O2/c1-10(13)8-12(2,14)9-11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3
InChI Key:
DYWXVYCXQJKOCK-UHFFFAOYSA-N
SMILES:
CC(CC(Cc1ccccc1)(O)C)O
Properties
Complexity:
164
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:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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