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6097-07-0 | N-(4-PENTYNYL)PHTHALIMIDE 97
CAS No: 6097-07-0 Catalog No: AG003SDA MDL No:MFCD06798110
Product Description
Catalog Number:
AG003SDA
Chemical Name:
N-(4-PENTYNYL)PHTHALIMIDE 97
CAS Number:
6097-07-0
MDL Number:
MFCD06798110
IUPAC Name:
2-pent-4-ynylisoindole-1,3-dione
InChI:
InChI=1S/C13H11NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h1,4-5,7-8H,3,6,9H2
InChI Key:
YNZIPXLLPFYDGM-UHFFFAOYSA-N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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