Home Aldehydes 2199-63-5
2199-63-5,MFCD01830401
Catalog No.:AA00C21C
2199-63-5 | 2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
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250mg
95%
in stock  
$50.00
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1g
95%
in stock  
$78.00
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5g
95%
in stock  
$228.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C21C
Chemical Name:
2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
CAS Number:
2199-63-5
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD01830401
IUPAC Name:
2,5-dimethyl-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C7H9NO/c1-5-3-7(4-9)6(2)8-5/h3-4,8H,1-2H3
InChI Key:
GTWDXQPFVZMHNZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc([nH]c1C)C
Properties
Computed Properties
 
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
2,5-dimethyl-1H-pyrrole-3-carbaldehyde 
2199-63-5 
CTK4E8182 
DTXSID10280750 
SP502 
ZINC1769325 
BBL012646 
MFCD01830401 
NSC-18512 
NSC112887 
STK803290 
AKOS000113158 
1H-Pyrrole-3-carboxaldehyde,2,5-dimethyl- 
MCULE-8746528639 
NSC-112887 
NCGC00334806-01 
AJ-31686 
CJ-07087 
AB1007561 
V4423 
EN300-12700 
K-6236 
AB01327413-02 
NSC18512 
AA-516/30054053 
2,5-Dimethyl-1H-pyrrole-3-carbaldehyde, AldrichCPR 
F2124-0692 
null 
C7H9NO 
AR-1C3928 
CID227177 
25102-52-7 
AC1L5FAX 
AC1Q2IHD 
1h-pyrrole-3-carboxaldehyde, 2,5-dimethyl- 
AC1Q6Q0N 
2,5-Dimethylpyrrol-4-aldehyd 
SCHEMBL2951120 
Literature
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