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1353955-69-7 | [Methyl-(1-phenyl-propyl)-amino]-acetic acid
CAS No: 1353955-69-7 Catalog No: AG01FAN0 MDL No:
Product Description
Catalog Number:
AG01FAN0
Chemical Name:
[Methyl-(1-phenyl-propyl)-amino]-acetic acid
CAS Number:
1353955-69-7
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
2-[methyl(1-phenylpropyl)amino]acetic acid
InChI:
InChI=1S/C12H17NO2/c1-3-11(13(2)9-12(14)15)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,14,15)
InChI Key:
QROKEYNNHZUOTA-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)N(CC(=O)O)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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