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967-68-0 | 1H-Pyrrole-2-carboxaldehyde, 5,5'-methylenebis[4-ethyl-3-methyl-
CAS No: 967-68-0 Catalog No: AG006ORK MDL No:
Product Description
Catalog Number:
AG006ORK
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5,5'-methylenebis[4-ethyl-3-methyl-
CAS Number:
967-68-0
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
4-ethyl-5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C17H22N2O2/c1-5-12-10(3)16(8-20)18-14(12)7-15-13(6-2)11(4)17(9-21)19-15/h8-9,18-19H,5-7H2,1-4H3
InChI Key:
OGOATYJXXAAJJJ-UHFFFAOYSA-N
SMILES:
CCc1c(Cc2[nH]c(c(c2CC)C)C=O)[nH]c(c1C)C=O
NSC Number:
601376
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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