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26122-90-7 | Phenylalanine, 2,5-dihydroxy-
CAS No: 26122-90-7 Catalog No: AG002RRI MDL No:MFCD09842021
Product Description
Catalog Number:
AG002RRI
Chemical Name:
Phenylalanine, 2,5-dihydroxy-
CAS Number:
26122-90-7
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD09842021
IUPAC Name:
2-amino-3-(2,5-dihydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H11NO4/c10-7(9(13)14)4-5-3-6(11)1-2-8(5)12/h1-3,7,11-12H,4,10H2,(H,13,14)
InChI Key:
GWVBDUDVLOEOHB-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1cc(O)ccc1O)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:
-2.1
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