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30186-36-8 | 1-(4-METHOXY-PHENYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS No: 30186-36-8 Catalog No: AG00BCMY MDL No:MFCD02604867
Product Description
Catalog Number:
AG00BCMY
Chemical Name:
1-(4-METHOXY-PHENYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS Number:
30186-36-8
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD02604867
IUPAC Name:
1-(4-methoxyphenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H11NO2/c1-15-12-6-4-10(5-7-12)13-8-2-3-11(13)9-14/h2-9H,1H3
InChI Key:
VBOUNTHJXKGWSS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1cccc1C=O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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