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753497-41-5 | Benzamide,2-(1-propyn-1-yl)-
CAS No: 753497-41-5 Catalog No: AG005BYK MDL No:MFCD18824481
Product Description
Catalog Number:
AG005BYK
Chemical Name:
Benzamide,2-(1-propyn-1-yl)-
CAS Number:
753497-41-5
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD18824481
IUPAC Name:
2-prop-1-ynylbenzamide
InChI:
InChI=1S/C10H9NO/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7H,1H3,(H2,11,12)
InChI Key:
UURDEBPGOSLCQJ-UHFFFAOYSA-N
SMILES:
CC#Cc1ccccc1C(=O)N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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