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88549-23-9 | 3-Boal
CAS No: 88549-23-9 Catalog No: AG004FQ7 MDL No:
Product Description
Catalog Number:
AG004FQ7
Chemical Name:
3-Boal
CAS Number:
88549-23-9
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
(2S)-2-amino-3-(1,3-benzoxazol-2-yl)propanoic acid
InChI:
InChI=1S/C10H10N2O3/c11-6(10(13)14)5-9-12-7-3-1-2-4-8(7)15-9/h1-4,6H,5,11H2,(H,13,14)/t6-/m0/s1
InChI Key:
ACDXYPDPKDELEA-LURJTMIESA-N
SMILES:
OC(=O)[C@H](Cc1nc2c(o1)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:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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