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1192-79-6 | 1H-Pyrrole-2-carboxaldehyde, 5-methyl-
CAS No: 1192-79-6 Catalog No: AG000IC8 MDL No:MFCD08236773
Product Description
Catalog Number:
AG000IC8
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5-methyl-
CAS Number:
1192-79-6
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD08236773
IUPAC Name:
5-methyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3
InChI Key:
LFWLUDLUCDRDAF-UHFFFAOYSA-N
SMILES:
Cc1ccc([nH]1)C=O
UNII:
SP16VW48RI
NSC Number:
81349
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Chemoenzymatic formation of novel aminocoumarin antibiotics by the enzymes CouN1 and CouN7. | Biochemistry 20070717 |
| Installation of the pyrrolyl-2-carboxyl pharmacophore by CouN1 and CouN7 in the late biosynthetic steps of the aminocoumarin antibiotics clorobiocin and coumermycin A1. | Biochemistry 20060718 |
| Metabolic engineering of aminocoumarins: inactivation of the methyltransferase gene cloP and generation of new clorobiocin derivatives in a heterologous host. | Chembiochem : a European journal of chemical biology 20050801 |
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