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123772-65-6 | Acetamide, N-[1-(4-methoxyphenyl)-2-propyn-1-yl]-
CAS No: 123772-65-6 Catalog No: AG000L2F MDL No:
Product Description
Catalog Number:
AG000L2F
Chemical Name:
Acetamide, N-[1-(4-methoxyphenyl)-2-propyn-1-yl]-
CAS Number:
123772-65-6
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
N-[1-(4-methoxyphenyl)prop-2-ynyl]acetamide
InChI:
InChI=1S/C12H13NO2/c1-4-12(13-9(2)14)10-5-7-11(15-3)8-6-10/h1,5-8,12H,2-3H3,(H,13,14)
InChI Key:
USSVKGSOSHRVDR-UHFFFAOYSA-N
SMILES:
C#CC(c1ccc(cc1)OC)NC(=O)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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