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1215711-91-3 | Acetamide, N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]-, hydrochloride (1:1)
CAS No: 1215711-91-3 Catalog No: AG0015AW MDL No:
Product Description
Catalog Number:
AG0015AW
Chemical Name:
Acetamide, N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]-, hydrochloride (1:1)
CAS Number:
1215711-91-3
Molecular Formula:
C12H17ClN2O3
Molecular Weight:
272.7280
IUPAC Name:
N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide;hydrochloride
InChI:
InChI=1S/C12H16N2O3.ClH/c1-8(15)14-6-5-12(16)10-7-9(17-2)3-4-11(10)13;/h3-4,7H,5-6,13H2,1-2H3,(H,14,15);1H
InChI Key:
JMBYMENFYWCJRD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)CCNC(=O)C)N.Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.729g/mol
Monoisotopic Mass:
272.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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