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2386-26-7,MFCD00022373
Catalog No.:AA003IQ9
2386-26-7 | 3-Acetyl-2,4-dimethyl-5-carbethoxypyrrole
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5g
1 week  
$109.00   $77.00
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25g
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$181.00   $127.00
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Technical Information
Catalog Number:
AA003IQ9
Chemical Name:
3-Acetyl-2,4-dimethyl-5-carbethoxypyrrole
CAS Number:
2386-26-7
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD00022373
IUPAC Name:
ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C11H15NO3/c1-5-15-11(14)10-6(2)9(8(4)13)7(3)12-10/h12H,5H2,1-4H3
InChI Key:
ALRDOFWBPAZOCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1C)C(=O)C)C
UNII:
MVH7P0EOA6
NSC Number:
10765
Properties
Computed Properties
 
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
2386-26-7 
ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate 
4-Acetyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester 
3-Acetyl-2,4-Dimethyl-5-(Ethoxycarbonyl)Pyrrole 
PYRROLE-2-CARBOXYLIC ACID, 4-ACETYL-3,5-DIMETHYL-, ETHYL ESTER 
MFCD00022373 
4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 
NSC10765 
Maybridge1_002117 
ACMC-1CG5G 
CBMicro_013151 
KSC496S9F 
3-Acetyl-2,4-dimethyl-5-carbethoxypyrrole 
AC1L290E 
SCHEMBL1450411 
CTK3J6992 
HMS547I05 
KS-00000ZUD 
DTXSID50178566 
ALRDOFWBPAZOCW-UHFFFAOYSA-N 
ZINC121453 
ALBB-006192 
SMSF0004185 
2,4-DIMETHYL-3-ACETYL-5-CARBETHOXYPYRROLE 
1666AB 
ANW-59967 
BBL005137 
NSC-10765 
SBB048098 
STK500704 
AKOS000266693 
AS-9832 
CB03785 
CCG-234162 
1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester 
MCULE-7796843804 
RTR-030887 
VP60065 
NCGC00336964-01 
AC-26701 
AJ-11753 
AN-50795 
BR-48055 
CJ-00917 
ST011906 
UNII-MVH7P0EOA6 
BIM-0013287.P001 
AB0023650 
DB-046269 
LS-136821 
TR-030887 
BB 0218545 
FT-0626065 
ST24030594 
W4751 
C-0050 
NSC 10765 
AB00074975-01 
AB00074975-03 
Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate 
SR-01000388216 
S14-1336 
SR-01000388216-1 
3-Acetyl-2,4-dimethyl-5-(ethoxycarbonyl)-1H-pyrrole 
BRD-K69414438-001-01-6 
Z53845389 
ETHYL 3-ACETYL-2,4-DIMETHYL-5-PYRROLECARBOXYLATE 
MVH7P0EOA6 
A0602/0027842 
4-Acetyl-3,5-Dimethyl-2-pyrrolecarboxylic acid, ethyl ester 
3,5-Dimethyl-4-acetyl-1H-pyrrole-2-carboxylic acid ethyl ester 
InChI=1/C11H15NO3/c1-5-15-11(14)10-6(2)9(8(4)13)7(3)12-10/h12H,5H2,1-4H 
C11H15NO3 
CID16947 
C11-H15-N-O3 
1H-Pyrrole-2-carboxylic acid,5-dimethyl-, ethyl ester 
ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate 
AI3-18675 
Literature
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