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1193-61-9 | 1-Propanone, 1-(1H-pyrrol-3-yl)-
CAS No: 1193-61-9 Catalog No: AG000IK3 MDL No:
Product Description
Catalog Number:
AG000IK3
Chemical Name:
1-Propanone, 1-(1H-pyrrol-3-yl)-
CAS Number:
1193-61-9
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
IUPAC Name:
1-(1H-pyrrol-3-yl)propan-1-one
InChI:
InChI=1S/C7H9NO/c1-2-7(9)6-3-4-8-5-6/h3-5,8H,2H2,1H3
InChI Key:
RSPXQTWHPQFCDQ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c[nH]cc1
NSC Number:
81354
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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