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117087-18-0 | 1,3-Propanediol, 2-[(phenylmethoxy)methyl]-
CAS No: 117087-18-0 Catalog No: AG000DPG MDL No:MFCD20482799
Product Description
Catalog Number:
AG000DPG
Chemical Name:
1,3-Propanediol, 2-[(phenylmethoxy)methyl]-
CAS Number:
117087-18-0
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
MDL Number:
MFCD20482799
IUPAC Name:
2-(phenylmethoxymethyl)propane-1,3-diol
InChI:
InChI=1S/C11H16O3/c12-6-11(7-13)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChI Key:
UMRWMXZIGBWCQD-UHFFFAOYSA-N
SMILES:
OCC(COCc1ccccc1)CO
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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