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1801761-08-9 | 3-cyclohexyl-1-methyl-1H-pyrrole-2-carbaldehyde
CAS No: 1801761-08-9 Catalog No: AG01BP9W MDL No:MFCD30500000
Product Description
Catalog Number:
AG01BP9W
Chemical Name:
3-cyclohexyl-1-methyl-1H-pyrrole-2-carbaldehyde
CAS Number:
1801761-08-9
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD30500000
IUPAC Name:
3-cyclohexyl-1-methylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H17NO/c1-13-8-7-11(12(13)9-14)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChI Key:
BPWVKZXYXZGNAH-UHFFFAOYSA-N
SMILES:
O=Cc1c(ccn1C)C1CCCCC1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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