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828923-10-0 | 1H-Pyrrole-2-carboxaldehyde, 1-methyl-5-(oxophenylacetyl)-
CAS No: 828923-10-0 Catalog No: AG0054U5 MDL No:
Product Description
Catalog Number:
AG0054U5
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-methyl-5-(oxophenylacetyl)-
CAS Number:
828923-10-0
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
1-methyl-5-(2-oxo-2-phenylacetyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C14H11NO3/c1-15-11(9-16)7-8-12(15)14(18)13(17)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
QVBQPWDJTODNJD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(n1C)C(=O)C(=O)c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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