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116445-16-0 | Propanamide, 3-chloro-N-hydroxy-N-2-propyn-1-yl-
CAS No: 116445-16-0 Catalog No: AG000CIP MDL No:
Product Description
Catalog Number:
AG000CIP
Chemical Name:
Propanamide, 3-chloro-N-hydroxy-N-2-propyn-1-yl-
CAS Number:
116445-16-0
Molecular Formula:
C6H8ClNO2
Molecular Weight:
161.5862
IUPAC Name:
3-chloro-N-hydroxy-N-prop-2-ynylpropanamide
InChI:
InChI=1S/C6H8ClNO2/c1-2-5-8(10)6(9)3-4-7/h1,10H,3-5H2
InChI Key:
JPEXEKAWUHDQMO-UHFFFAOYSA-N
SMILES:
ClCCC(=O)N(CC#C)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.585g/mol
Monoisotopic Mass:
161.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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