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31618-55-0 | 1H-Pyrrole-3,4-dicarboxaldehyde, 1,2,5-trimethyl-
CAS No: 31618-55-0 Catalog No: AG007IU1 MDL No:
Product Description
Catalog Number:
AG007IU1
Chemical Name:
1H-Pyrrole-3,4-dicarboxaldehyde, 1,2,5-trimethyl-
CAS Number:
31618-55-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
1,2,5-trimethylpyrrole-3,4-dicarbaldehyde
InChI:
InChI=1S/C9H11NO2/c1-6-8(4-11)9(5-12)7(2)10(6)3/h4-5H,1-3H3
InChI Key:
OWBSCTATQQJLAP-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)n(c(c1C=O)C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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