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1181451-44-4 | [Ethyl-(3-methoxy-benzyl)-amino]-acetic acid
CAS No: 1181451-44-4 Catalog No: AG01FAK2 MDL No:
Product Description
Catalog Number:
AG01FAK2
Chemical Name:
[Ethyl-(3-methoxy-benzyl)-amino]-acetic acid
CAS Number:
1181451-44-4
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H17NO3/c1-3-13(9-12(14)15)8-10-5-4-6-11(7-10)16-2/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChI Key:
UYNHNGZQQCSDBH-UHFFFAOYSA-N
SMILES:
CCN(Cc1cccc(c1)OC)CC(=O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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