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18870-74-1 | 1-ETHYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
CAS No: 18870-74-1 Catalog No: AG00APRJ MDL No:MFCD00192997
Product Description
Catalog Number:
AG00APRJ
Chemical Name:
1-ETHYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
CAS Number:
18870-74-1
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD00192997
IUPAC Name:
1-ethyl-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C9H13NO/c1-4-10-7(2)5-9(6-11)8(10)3/h5-6H,4H2,1-3H3
InChI Key:
NWDZDFOKSUDVJV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)CC)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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