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100750-39-8 | Ethanone, 1-[4-(acetyloxy)-2-phenyl-1H-pyrrol-1-yl]-
CAS No: 100750-39-8 Catalog No: AG0002TB MDL No:
Product Description
Catalog Number:
AG0002TB
Chemical Name:
Ethanone, 1-[4-(acetyloxy)-2-phenyl-1H-pyrrol-1-yl]-
CAS Number:
100750-39-8
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
(1-acetyl-5-phenylpyrrol-3-yl) acetate
InChI:
InChI=1S/C14H13NO3/c1-10(16)15-9-13(18-11(2)17)8-14(15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChI Key:
WKSITCBIIIHVSF-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cn(c(c1)c1ccccc1)C(=O)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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