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284665-32-3 | Benzenepropanoic acid, 3-amino-4-(2-methoxyethoxy)-
CAS No: 284665-32-3 Catalog No: AG002VDX MDL No:MFCD00207119
Product Description
Catalog Number:
AG002VDX
Chemical Name:
Benzenepropanoic acid, 3-amino-4-(2-methoxyethoxy)-
CAS Number:
284665-32-3
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
MDL Number:
MFCD00207119
IUPAC Name:
3-[3-amino-4-(2-methoxyethoxy)phenyl]propanoic acid
InChI:
InChI=1S/C12H17NO4/c1-16-6-7-17-11-4-2-9(8-10(11)13)3-5-12(14)15/h2,4,8H,3,5-7,13H2,1H3,(H,14,15)
InChI Key:
MWONQOYWLONRHL-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1N)CCC(=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:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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