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18711-27-8 | 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBALDEHYDE
CAS No: 18711-27-8 Catalog No: AG00B6NB MDL No:
Product Description
Catalog Number:
AG00B6NB
Chemical Name:
1-METHYL-4-NITRO-1H-PYRROLE-2-CARBALDEHYDE
CAS Number:
18711-27-8
IUPAC Name:
1-methyl-4-nitropyrrole-2-carbaldehyde
InChI:
InChI=1S/C6H6N2O3/c1-7-3-5(8(10)11)2-6(7)4-9/h2-4H,1H3
InChI Key:
XGKIWLRDLSNCRB-UHFFFAOYSA-N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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