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Home Aldehydes 1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-[(tetrahydro-2-furanyl)methyl]-(9CI)

1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-[(tetrahydro-2-furanyl)methyl]-(9CI)

CAS No.:
790263-33-1
Catalog Number:
AG00GE8N
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
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Product Description
Catalog Number:
AG00GE8N
Chemical Name:
1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl-1-[(tetrahydro-2-furanyl)methyl]-(9CI)
CAS Number:
790263-33-1
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD04321849
IUPAC Name:
2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C12H17NO2/c1-9-6-11(8-14)10(2)13(9)7-12-4-3-5-15-12/h6,8,12H,3-5,7H2,1-2H3
InChI Key:
CUEZTQJBZXOTCJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)CC1CCCO1)C
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties