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34841-09-3 | 3-Amino-3-(3,4-dimethoxyphenyl)propionic acid
CAS No: 34841-09-3 Catalog No: AG00396V MDL No:MFCD00735172
Product Description
Catalog Number:
AG00396V
Chemical Name:
3-Amino-3-(3,4-dimethoxyphenyl)propionic acid
CAS Number:
34841-09-3
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
MDL Number:
MFCD00735172
IUPAC Name:
3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
InChI:
InChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)
InChI Key:
FGCXSFRGPCUBPW-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(CC(=O)O)N
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:
-2.4
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