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1781852-29-6 | 1-methyl-3-(3-methylphenyl)-1H-pyrrole-2-carbaldehyde
CAS No: 1781852-29-6 Catalog No: AG01BPA2 MDL No:MFCD30500006
Product Description
Catalog Number:
AG01BPA2
Chemical Name:
1-methyl-3-(3-methylphenyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
1781852-29-6
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD30500006
IUPAC Name:
1-methyl-3-(3-methylphenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H13NO/c1-10-4-3-5-11(8-10)12-6-7-14(2)13(12)9-15/h3-9H,1-2H3
InChI Key:
JTAZXNXHDDBFAQ-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)ccc1c1cccc(c1)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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