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138621-64-4 | Benzenepropanoic acid, β-amino-2,5-dimethoxy-
CAS No: 138621-64-4 Catalog No: AG0018W5 MDL No:MFCD01871303
Product Description
Catalog Number:
AG0018W5
Chemical Name:
Benzenepropanoic acid, β-amino-2,5-dimethoxy-
CAS Number:
138621-64-4
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
MDL Number:
MFCD01871303
IUPAC Name:
3-amino-3-(2,5-dimethoxyphenyl)propanoic acid
InChI:
InChI=1S/C11H15NO4/c1-15-7-3-4-10(16-2)8(5-7)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14)
InChI Key:
ITSCOEWJLBLPCK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(CC(=O)O)N)OC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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