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88695-71-0 | 3-Morpholinone, 6-(hydroxymethyl)-4-(phenylmethyl)-
CAS No: 88695-71-0 Catalog No: AG0046LY MDL No:
Product Description
Catalog Number:
AG0046LY
Chemical Name:
3-Morpholinone, 6-(hydroxymethyl)-4-(phenylmethyl)-
CAS Number:
88695-71-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
4-benzyl-6-(hydroxymethyl)morpholin-3-one
InChI:
InChI=1S/C12H15NO3/c14-8-11-7-13(12(15)9-16-11)6-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChI Key:
ZQJCNVAKMWZFSE-UHFFFAOYSA-N
SMILES:
OCC1OCC(=O)N(C1)Cc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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