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146944-27-6 | 2-Morpholineacetic acid, 4-(phenylmethyl)-
CAS No: 146944-27-6 Catalog No: AG001EGY MDL No:MFCD04038495
Product Description
Catalog Number:
AG001EGY
Chemical Name:
2-Morpholineacetic acid, 4-(phenylmethyl)-
CAS Number:
146944-27-6
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD04038495
IUPAC Name:
2-(4-benzylmorpholin-2-yl)acetic acid
InChI:
InChI=1S/C13H17NO3/c15-13(16)8-12-10-14(6-7-17-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChI Key:
ZYXIOXNUKBMPQJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1OCCN(C1)Cc1ccccc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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