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26577-57-1 | Benzeneacetic acid, 4-(4-morpholinyl)-
CAS No: 26577-57-1 Catalog No: AG002TR2 MDL No:MFCD01995085
Product Description
Catalog Number:
AG002TR2
Chemical Name:
Benzeneacetic acid, 4-(4-morpholinyl)-
CAS Number:
26577-57-1
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD01995085
IUPAC Name:
2-(4-morpholin-4-ylphenyl)acetic acid
InChI:
InChI=1S/C12H15NO3/c14-12(15)9-10-1-3-11(4-2-10)13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)
InChI Key:
JCUCSMGLJLRTMT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)N1CCOCC1
Properties
Complexity:
230
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:
4
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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