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773126-01-5 | 2-Furanpropanoic acid, b-amino-5-(3-chloro-4-methoxyphenyl)-
CAS No: 773126-01-5 Catalog No: AG00547W MDL No:
Product Description
Catalog Number:
AG00547W
Chemical Name:
2-Furanpropanoic acid, b-amino-5-(3-chloro-4-methoxyphenyl)-
CAS Number:
773126-01-5
Molecular Formula:
C14H14ClNO4
Molecular Weight:
295.7183
IUPAC Name:
3-amino-3-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]propanoic acid
InChI:
InChI=1S/C14H14ClNO4/c1-19-12-3-2-8(6-9(12)15)11-4-5-13(20-11)10(16)7-14(17)18/h2-6,10H,7,16H2,1H3,(H,17,18)
InChI Key:
ADQSNPFZBZUMEN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cl)c1ccc(o1)C(CC(=O)O)N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.719g/mol
Monoisotopic Mass:
295.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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