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70702-47-5 | H-3-D-Pal-OH
CAS No: 70702-47-5 Catalog No: AG003EUF MDL No:MFCD00079673
Product Description
Catalog Number:
AG003EUF
Chemical Name:
H-3-D-Pal-OH
CAS Number:
70702-47-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD00079673
IUPAC Name:
(2R)-2-amino-3-pyridin-3-ylpropanoic acid
InChI:
InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m1/s1
InChI Key:
DFZVZEMNPGABKO-SSDOTTSWSA-N
SMILES:
OC(=O)[C@@H](Cc1cccnc1)N
UNII:
CJ14SEB81Q
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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