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174502-37-5 | Benzenepropanoic acid, β-amino-3,4-dihydroxy-
CAS No: 174502-37-5 Catalog No: AG001ZPW MDL No:MFCD02090624
Product Description
Catalog Number:
AG001ZPW
Chemical Name:
Benzenepropanoic acid, β-amino-3,4-dihydroxy-
CAS Number:
174502-37-5
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD02090624
IUPAC Name:
3-amino-3-(3,4-dihydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H11NO4/c10-6(4-9(13)14)5-1-2-7(11)8(12)3-5/h1-3,6,11-12H,4,10H2,(H,13,14)
InChI Key:
GXKOWQKLXRMVLF-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(c(c1)O)O)N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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