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123566-33-6 | 1H-Imidazole-2-acetic acid, 1-(phenylmethyl)-
CAS No: 123566-33-6 Catalog No: AG000KTL MDL No:
Product Description
Catalog Number:
AG000KTL
Chemical Name:
1H-Imidazole-2-acetic acid, 1-(phenylmethyl)-
CAS Number:
123566-33-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
2-(1-benzylimidazol-2-yl)acetic acid
InChI:
InChI=1S/C12H12N2O2/c15-12(16)8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,15,16)
InChI Key:
PEXJLERUJWJFKU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nccn1Cc1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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