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13678-79-0 | 1H-Pyrrole-2-carboxaldehyde, 1-(3-methylbutyl)-
CAS No: 13678-79-0 Catalog No: AG0012CR MDL No:MFCD11909545
Product Description
Catalog Number:
AG0012CR
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-(3-methylbutyl)-
CAS Number:
13678-79-0
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD11909545
IUPAC Name:
1-(3-methylbutyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C10H15NO/c1-9(2)5-7-11-6-3-4-10(11)8-12/h3-4,6,8-9H,5,7H2,1-2H3
InChI Key:
JVGRNRKMDAVBIH-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1CCC(C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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