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29813-42-1 | 1H-Pyrrole-2-carboxaldehyde, 1-butyl-5-(hydroxymethyl)-
CAS No: 29813-42-1 Catalog No: AG007KAS MDL No:
Product Description
Catalog Number:
AG007KAS
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-butyl-5-(hydroxymethyl)-
CAS Number:
29813-42-1
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
1-butyl-5-(hydroxymethyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C10H15NO2/c1-2-3-6-11-9(7-12)4-5-10(11)8-13/h4-5,7,13H,2-3,6,8H2,1H3
InChI Key:
FNDGDKSOMNMMLY-UHFFFAOYSA-N
SMILES:
CCCCn1c(CO)ccc1C=O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Aging of proteins: immunological detection of a glucose-derived pyrrole formed during maillard reaction in vivo. | The Journal of biological chemistry 19890305 |
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