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119548-48-0 | Benzamide, N-2-propen-1-yl-N-2-propyn-1-yl-
CAS No: 119548-48-0 Catalog No: AG000IXN MDL No:
Product Description
Catalog Number:
AG000IXN
Chemical Name:
Benzamide, N-2-propen-1-yl-N-2-propyn-1-yl-
CAS Number:
119548-48-0
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
N-prop-2-enyl-N-prop-2-ynylbenzamide
InChI:
InChI=1S/C13H13NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h1,4-9H,2,10-11H2
InChI Key:
WNQMTOLCVOWVJE-UHFFFAOYSA-N
SMILES:
C=CCN(C(=O)c1ccccc1)CC#C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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