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4758-81-0

4758-81-0 | 1H-Pyrrole-2-carboxaldehyde, 5,5'-methylenebis[3-ethyl-4-methyl-

CAS No: 4758-81-0 Catalog No: AG006ZZW MDL No:

Product Description

Catalog Number:
AG006ZZW
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5,5'-methylenebis[3-ethyl-4-methyl-
CAS Number:
4758-81-0
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
3-ethyl-5-[(4-ethyl-5-formyl-3-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C17H22N2O2/c1-5-12-10(3)14(18-16(12)8-20)7-15-11(4)13(6-2)17(9-21)19-15/h8-9,18-19H,5-7H2,1-4H3
InChI Key:
MZZONQQGQVBCDY-UHFFFAOYSA-N
SMILES:
CCc1c(C=O)[nH]c(c1C)Cc1[nH]c(c(c1C)CC)C=O

Properties

Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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