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421565-84-6

421565-84-6 | 1H-Imidazole, 1-methyl-, phosphate (1:1)

CAS No: 421565-84-6 Catalog No: AG0073LB MDL No:

Product Description

Catalog Number:
AG0073LB
Chemical Name:
1H-Imidazole, 1-methyl-, phosphate (1:1)
CAS Number:
421565-84-6
Molecular Formula:
C4H9N2O4P
Molecular Weight:
180.0990
IUPAC Name:
1-methylimidazole;phosphoric acid
InChI:
InChI=1S/C4H6N2.H3O4P/c1-6-3-2-5-4-6;1-5(2,3)4/h2-4H,1H3;(H3,1,2,3,4)
InChI Key:
GQLRFPJNVQIFPK-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.Cn1cncc1

Properties

Complexity:
94.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
180.1g/mol
Monoisotopic Mass:
180.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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