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103548-16-9 | (R)-1-Phenylpropane-1,3-diol
CAS No: 103548-16-9 Catalog No: AG003C84 MDL No:MFCD00145213
Product Description
Catalog Number:
AG003C84
Chemical Name:
(R)-1-Phenylpropane-1,3-diol
CAS Number:
103548-16-9
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00145213
IUPAC Name:
(1R)-1-phenylpropane-1,3-diol
InChI:
InChI=1S/C9H12O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m1/s1
InChI Key:
RRVFYOSEKOTFOG-SECBINFHSA-N
SMILES:
OCC[C@H](c1ccccc1)O
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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