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Home > Imidazoles > 81440-45-1
81440-45-1 | 3-(2-BENZO[D]IMIDAZOLYL)ALANINE
CAS No: 81440-45-1 Catalog No: AG0052C8 MDL No:
Product Description
Catalog Number:
AG0052C8
Chemical Name:
3-(2-BENZO[D]IMIDAZOLYL)ALANINE
CAS Number:
81440-45-1
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
(2R)-2-amino-3-(1H-benzimidazol-2-yl)propanoic acid
InChI:
InChI=1S/C10H11N3O2/c11-6(10(14)15)5-9-12-7-3-1-2-4-8(7)13-9/h1-4,6H,5,11H2,(H,12,13)(H,14,15)/t6-/m1/s1
InChI Key:
UERIWNMZWSIKSK-ZCFIWIBFSA-N
SMILES:
OC(=O)[C@H](Cc1nc2c([nH]1)cccc2)N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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