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117173-10-1 | Benzenebutanimidic acid, methyl ester, hydrochloride (1:1)
CAS No: 117173-10-1 Catalog No: AG000DU6 MDL No:
Product Description
Catalog Number:
AG000DU6
Chemical Name:
Benzenebutanimidic acid, methyl ester, hydrochloride (1:1)
CAS Number:
117173-10-1
Molecular Formula:
C11H16ClNO
Molecular Weight:
213.7038
IUPAC Name:
methyl 4-phenylbutanimidate;hydrochloride
InChI:
InChI=1S/C11H15NO.ClH/c1-13-11(12)9-5-8-10-6-3-2-4-7-10;/h2-4,6-7,12H,5,8-9H2,1H3;1H
InChI Key:
OKCYMSQFRXSBMY-UHFFFAOYSA-N
SMILES:
COC(=N)CCCc1ccccc1.Cl
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.705g/mol
Monoisotopic Mass:
213.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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