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24643-58-1 | Propanedioic acid, 2-[(dimethylamino)methyl]-2-(phenylmethyl)-
CAS No: 24643-58-1 Catalog No: AG002OXE MDL No:
Product Description
Catalog Number:
AG002OXE
Chemical Name:
Propanedioic acid, 2-[(dimethylamino)methyl]-2-(phenylmethyl)-
CAS Number:
24643-58-1
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
2-benzyl-2-[(dimethylamino)methyl]propanedioic acid
InChI:
InChI=1S/C13H17NO4/c1-14(2)9-13(11(15)16,12(17)18)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
KHFBSEMERPZSML-UHFFFAOYSA-N
SMILES:
CN(CC(C(=O)O)(C(=O)O)Cc1ccccc1)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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