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327060-71-9 | 2,5-DIMETHYL-1-P-TOLYL-1H-PYRROLE-3-CARBALDEHYDE
CAS No: 327060-71-9 Catalog No: AG00CJAY MDL No:MFCD00858195
Product Description
Catalog Number:
AG00CJAY
Chemical Name:
2,5-DIMETHYL-1-P-TOLYL-1H-PYRROLE-3-CARBALDEHYDE
CAS Number:
327060-71-9
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
MDL Number:
MFCD00858195
IUPAC Name:
2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C14H15NO/c1-10-4-6-14(7-5-10)15-11(2)8-13(9-16)12(15)3/h4-9H,1-3H3
InChI Key:
YGUWNSYHYBHIIC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccc(cc1)C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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