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188657-34-3 | 1H-Imidazole-5-acetic acid, 4-carboxy-4,5-dihydro-1-phenyl-, (4R,5S)-rel-
CAS No: 188657-34-3 Catalog No: AG002H40 MDL No:
Product Description
Catalog Number:
AG002H40
Chemical Name:
1H-Imidazole-5-acetic acid, 4-carboxy-4,5-dihydro-1-phenyl-, (4R,5S)-rel-
CAS Number:
188657-34-3
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
(4R,5S)-5-(carboxymethyl)-1-phenyl-4,5-dihydroimidazole-4-carboxylic acid
InChI:
InChI=1S/C12H12N2O4/c15-10(16)6-9-11(12(17)18)13-7-14(9)8-4-2-1-3-5-8/h1-5,7,9,11H,6H2,(H,15,16)(H,17,18)/t9-,11+/m0/s1
InChI Key:
VNUHDYKUCGJYAJ-GXSJLCMTSA-N
SMILES:
OC(=O)C[C@H]1[C@@H](N=CN1c1ccccc1)C(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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