200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 130147-42-1
130147-42-1 | 1,3-Propanediol, 2-(hydroxymethyl)-2-[(phenylmethoxy)methyl]-
CAS No: 130147-42-1 Catalog No: AG000U2U MDL No:
Product Description
Catalog Number:
AG000U2U
Chemical Name:
1,3-Propanediol, 2-(hydroxymethyl)-2-[(phenylmethoxy)methyl]-
CAS Number:
130147-42-1
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
InChI:
InChI=1S/C12H18O4/c13-7-12(8-14,9-15)10-16-6-11-4-2-1-3-5-11/h1-5,13-15H,6-10H2
InChI Key:
SLDUUYIXPMPEDL-UHFFFAOYSA-N
SMILES:
OCC(COCc1ccccc1)(CO)CO
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.