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212650-44-7 | Methyl 4-benzylmorpholine-3-carboxylate
CAS No: 212650-44-7 Catalog No: AG003RUK MDL No:MFCD09756515
Product Description
Catalog Number:
AG003RUK
Chemical Name:
Methyl 4-benzylmorpholine-3-carboxylate
CAS Number:
212650-44-7
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD09756515
IUPAC Name:
methyl 4-benzylmorpholine-3-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-16-13(15)12-10-17-8-7-14(12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key:
YVELAJKOOJJTME-UHFFFAOYSA-N
SMILES:
COC(=O)C1COCCN1Cc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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