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115346-88-8 | 1,3-Pentanediol, 5-phenyl-, (R)- (9CI)
CAS No: 115346-88-8 Catalog No: AG000GM7 MDL No:
Product Description
Catalog Number:
AG000GM7
Chemical Name:
1,3-Pentanediol, 5-phenyl-, (R)- (9CI)
CAS Number:
115346-88-8
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
5-phenylpentane-1,3-diol
InChI:
InChI=1S/C11H16O2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChI Key:
SKZMHTRJUXJATN-UHFFFAOYSA-N
SMILES:
OCC[C@@H](CCc1ccccc1)O
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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