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179388-73-9 | Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, phenylmethyl ester
CAS No: 179388-73-9 Catalog No: AG0026ZO MDL No:
Product Description
Catalog Number:
AG0026ZO
Chemical Name:
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, phenylmethyl ester
CAS Number:
179388-73-9
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
InChI:
InChI=1S/C12H16O4/c1-12(8-13,9-14)11(15)16-7-10-5-3-2-4-6-10/h2-6,13-14H,7-9H2,1H3
InChI Key:
VGFNGLUDOVQRNF-UHFFFAOYSA-N
SMILES:
OCC(C(=O)OCc1ccccc1)(CO)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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