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Home > Other Building Blocks > 88214-45-3
88214-45-3 | 1,3-Propanediol, 2-methyl-2-[2-(phenylmethoxy)ethyl]-
CAS No: 88214-45-3 Catalog No: AG004BF0 MDL No:
Product Description
Catalog Number:
AG004BF0
Chemical Name:
1,3-Propanediol, 2-methyl-2-[2-(phenylmethoxy)ethyl]-
CAS Number:
88214-45-3
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
2-methyl-2-(2-phenylmethoxyethyl)propane-1,3-diol
InChI:
InChI=1S/C13H20O3/c1-13(10-14,11-15)7-8-16-9-12-5-3-2-4-6-12/h2-6,14-15H,7-11H2,1H3
InChI Key:
RRURQKPRHHWBTG-UHFFFAOYSA-N
SMILES:
OCC(CCOCc1ccccc1)(CO)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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