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15431-72-8 | 1H-Pyrrole-2-carboxaldehyde,3-methoxy-4,5-dimethyl-
CAS No: 15431-72-8 Catalog No: AG007XMC MDL No:
Product Description
Catalog Number:
AG007XMC
Chemical Name:
1H-Pyrrole-2-carboxaldehyde,3-methoxy-4,5-dimethyl-
CAS Number:
15431-72-8
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
3-methoxy-4,5-dimethyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C8H11NO2/c1-5-6(2)9-7(4-10)8(5)11-3/h4,9H,1-3H3
InChI Key:
ZZAROJLSPDPNMV-UHFFFAOYSA-N
SMILES:
COc1c(C=O)[nH]c(c1C)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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