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1217098-31-1

1217098-31-1 | 4-Morpholinecarboxylic acid, 2-methyl-, phenylmethyl ester

CAS No: 1217098-31-1 Catalog No: AG0015LS MDL No:MFCD14877166

Product Description

Catalog Number:
AG0015LS
Chemical Name:
4-Morpholinecarboxylic acid, 2-methyl-, phenylmethyl ester
CAS Number:
1217098-31-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD14877166
IUPAC Name:
benzyl 2-methylmorpholine-4-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-11-9-14(7-8-16-11)13(15)17-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChI Key:
BOUIDUCSDPPCPV-UHFFFAOYSA-N
SMILES:
CC1OCCN(C1)C(=O)OCc1ccccc1

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:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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