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Tert-butyl 4-(2-methoxycarbonylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

CAS No.:
60024-89-7
Catalog Number:
AG00EL1J
Molecular Formula:
C15H23NO4
Molecular Weight:
281.3474
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Product Description
Catalog Number:
AG00EL1J
Chemical Name:
Tert-butyl 4-(2-methoxycarbonylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Number:
60024-89-7
Molecular Formula:
C15H23NO4
Molecular Weight:
281.3474
MDL Number:
MFCD00092160
IUPAC Name:
tert-butyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C15H23NO4/c1-9-11(7-8-12(17)19-6)10(2)16-13(9)14(18)20-15(3,4)5/h16H,7-8H2,1-6H3
InChI Key:
NTLRHYGHGCUJGW-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1c(C)[nH]c(c1C)C(=O)OC(C)(C)C
NSC Number:
157292
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.163g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.352g/mol
Monoisotopic Mass:
281.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties