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1027512-11-3 | 3-Morpholineacetic acid, 4-(phenylmethyl)-, methyl ester
CAS No: 1027512-11-3 Catalog No: AG0008A8 MDL No:
Product Description
Catalog Number:
AG0008A8
Chemical Name:
3-Morpholineacetic acid, 4-(phenylmethyl)-, methyl ester
CAS Number:
1027512-11-3
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
methyl 2-(4-benzylmorpholin-3-yl)acetate
InChI:
InChI=1S/C14H19NO3/c1-17-14(16)9-13-11-18-8-7-15(13)10-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChI Key:
NDALEGUOVNXIKT-UHFFFAOYSA-N
SMILES:
COC(=O)CC1COCCN1Cc1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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