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15029-49-9 | Acetamide, 2-cyano-N-[3-(1-methylethoxy)propyl]-
CAS No: 15029-49-9 Catalog No: AG001MH9 MDL No:MFCD08256161
Product Description
Catalog Number:
AG001MH9
Chemical Name:
Acetamide, 2-cyano-N-[3-(1-methylethoxy)propyl]-
CAS Number:
15029-49-9
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
MDL Number:
MFCD08256161
IUPAC Name:
2-cyano-N-(3-propan-2-yloxypropyl)acetamide
InChI:
InChI=1S/C9H16N2O2/c1-8(2)13-7-3-6-11-9(12)4-5-10/h8H,3-4,6-7H2,1-2H3,(H,11,12)
InChI Key:
JNBXIQGNRWMCOZ-UHFFFAOYSA-N
SMILES:
CC(OCCCNC(=O)CC#N)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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