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26310-01-0 | 3-(5-BENZO[D]IMIDAZOLYL)-2-METHYLALANINE
CAS No: 26310-01-0 Catalog No: AG007LYL MDL No:
Product Description
Catalog Number:
AG007LYL
Chemical Name:
3-(5-BENZO[D]IMIDAZOLYL)-2-METHYLALANINE
CAS Number:
26310-01-0
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
(2S)-2-amino-3-(3H-benzimidazol-5-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C11H13N3O2/c1-11(12,10(15)16)5-7-2-3-8-9(4-7)14-6-13-8/h2-4,6H,5,12H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1
InChI Key:
RBIXRMRQXIKCRD-NSHDSACASA-N
SMILES:
OC(=O)[C@](Cc1ccc2c(c1)[nH]cn2)(N)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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