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15191-21-6 | (S);-2-Formamido-3-(1H-imidazol-4-yl);propanoic acid
CAS No: 15191-21-6 Catalog No: AG003T1H MDL No:MFCD00059159
Product Description
Catalog Number:
AG003T1H
Chemical Name:
(S);-2-Formamido-3-(1H-imidazol-4-yl);propanoic acid
CAS Number:
15191-21-6
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
MDL Number:
MFCD00059159
IUPAC Name:
(2S)-2-formamido-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C7H9N3O3/c11-4-10-6(7(12)13)1-5-2-8-3-9-5/h2-4,6H,1H2,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1
InChI Key:
WFQVSLVQIFFQQN-LURJTMIESA-N
SMILES:
OC(=O)[C@@H](NC=O)Cc1c[nH]cn1
EC Number:
239-248-1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
183.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.167g/mol
Monoisotopic Mass:
183.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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