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1179945-25-5 | [Isopropyl-(4-methoxy-benzyl)-amino]-acetic acid
CAS No: 1179945-25-5 Catalog No: AG01F9FT MDL No:
Product Description
Catalog Number:
AG01F9FT
Chemical Name:
[Isopropyl-(4-methoxy-benzyl)-amino]-acetic acid
CAS Number:
1179945-25-5
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
2-[(4-methoxyphenyl)methyl-propan-2-ylamino]acetic acid
InChI:
InChI=1S/C13H19NO3/c1-10(2)14(9-13(15)16)8-11-4-6-12(17-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChI Key:
NQZSWAGUBIENKQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(C(C)C)CC(=O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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