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138657-34-8 | 1H-Pyrrole-2-carboxylic acid, 3-formyl-1,4,5-trimethyl-, methyl ester
CAS No: 138657-34-8 Catalog No: AG0018Z6 MDL No:
Product Description
Catalog Number:
AG0018Z6
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-formyl-1,4,5-trimethyl-, methyl ester
CAS Number:
138657-34-8
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
methyl 3-formyl-1,4,5-trimethylpyrrole-2-carboxylate
InChI:
InChI=1S/C10H13NO3/c1-6-7(2)11(3)9(8(6)5-12)10(13)14-4/h5H,1-4H3
InChI Key:
MRKRYXHSHWDMKJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1n(C)c(c(c1C=O)C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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