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12379-40-7 | 1H-Imidazole, dihydro-, acetate (1:1)
CAS No: 12379-40-7 Catalog No: AG000L3C MDL No:
Product Description
Catalog Number:
AG000L3C
Chemical Name:
1H-Imidazole, dihydro-, acetate (1:1)
CAS Number:
12379-40-7
Molecular Formula:
C5H10N2O2
Molecular Weight:
130.1451
IUPAC Name:
acetic acid;4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C3H6N2.C2H4O2/c1-2-5-3-4-1;1-2(3)4/h3H,1-2H2,(H,4,5);1H3,(H,3,4)
InChI Key:
CAZBGNGNIZEMPG-UHFFFAOYSA-N
SMILES:
C1NC=CN1.CC(=O)O
Properties
Complexity:
79.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
130.147g/mol
Monoisotopic Mass:
130.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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