Home Aldehydes 101001-68-7
101001-68-7,MFCD11505317
Catalog No.:AA0003EE
101001-68-7 | 1-Allyl-1h-pyrrole-2-carbaldehyde
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1g
95%
in stock  
$112.00   $78.00
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5g
95%
in stock  
$326.00   $228.00
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Technical Information
Catalog Number:
AA0003EE
Chemical Name:
1-Allyl-1h-pyrrole-2-carbaldehyde
CAS Number:
101001-68-7
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD11505317
IUPAC Name:
1-prop-2-enylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C8H9NO/c1-2-5-9-6-3-4-8(9)7-10/h2-4,6-7H,1,5H2
InChI Key:
PNZWYEBTQGJWJX-UHFFFAOYSA-N
SMILES:
C=CCn1cccc1C=O
Properties
Computed Properties
 
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
1-ALLYL-1H-PYRROLE-2-CARBALDEHYDE 
101001-68-7 
SP177 
4661AH 
BBL031938 
MFCD11505317 
STL374051 
ZINC20154853 
AKOS000112055 
MCULE-3997959141 
AJ-76116 
1-prop-2-en-1-yl-1H-pyrrole-2-carbaldehyde 
1H-Pyrrole-2-carboxaldehyde, 1-(2-propen-1-yl)- 
Y-6766 
C8H9NO 
1-prop-2-enylpyrrole-2-carbaldehyde 
CID10942480 
1-(prop-2-en-1-yl)-1H-pyrrole-2-carbaldehyde 
SCHEMBL30523 
1-allyl-2-pyrrolecarbaldehyde 
1-allylpyrrole-2-carbaldehyde 
CTK3J9438 
DTXSID40449090 
PNZWYEBTQGJWJX-UHFFFAOYSA-N 
Literature
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