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125772-50-1 | Benzenecarboximidamide, 4-methyl-, acetate (1:1)
CAS No: 125772-50-1 Catalog No: AG000OOX MDL No:
Product Description
Catalog Number:
AG000OOX
Chemical Name:
Benzenecarboximidamide, 4-methyl-, acetate (1:1)
CAS Number:
125772-50-1
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
acetic acid;4-methylbenzenecarboximidamide
InChI:
InChI=1S/C8H10N2.C2H4O2/c1-6-2-4-7(5-3-6)8(9)10;1-2(3)4/h2-5H,1H3,(H3,9,10);1H3,(H,3,4)
InChI Key:
POCKINROMSFGPK-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccc(cc1)C.CC(=O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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