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102364-17-0 | 1,3-Propanediol, 2-(4-propylphenyl)-
CAS No: 102364-17-0 Catalog No: AG00079Q MDL No:
Product Description
Catalog Number:
AG00079Q
Chemical Name:
1,3-Propanediol, 2-(4-propylphenyl)-
CAS Number:
102364-17-0
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
2-(4-propylphenyl)propane-1,3-diol
InChI:
InChI=1S/C12H18O2/c1-2-3-10-4-6-11(7-5-10)12(8-13)9-14/h4-7,12-14H,2-3,8-9H2,1H3
InChI Key:
ORJRCAATWAYUAO-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C(CO)CO
Properties
Complexity:
135
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:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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