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1303968-26-4 | 1H-Imidazole-1-acetic acid, 4-formyl-, hydrochloride (1:1)
CAS No: 1303968-26-4 Catalog No: AG000UCV MDL No:MFCD18914334
Product Description
Catalog Number:
AG000UCV
Chemical Name:
1H-Imidazole-1-acetic acid, 4-formyl-, hydrochloride (1:1)
CAS Number:
1303968-26-4
Molecular Formula:
C6H7ClN2O3
Molecular Weight:
190.5844
MDL Number:
MFCD18914334
IUPAC Name:
2-(4-formylimidazol-1-yl)acetic acid
InChI:
InChI=1S/C6H6N2O3/c9-3-5-1-8(4-7-5)2-6(10)11/h1,3-4H,2H2,(H,10,11)
InChI Key:
XCCISDPUPNBLOF-UHFFFAOYSA-N
SMILES:
O=Cc1ncn(c1)CC(=O)O.Cl
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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