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30569-18-7 | 5-(Acetoxymethyl)-1-methyl-1H-pyrrole-2-carbaldehyde
CAS No: 30569-18-7 Catalog No: AG00BK9N MDL No:
Product Description
Catalog Number:
AG00BK9N
Chemical Name:
5-(Acetoxymethyl)-1-methyl-1H-pyrrole-2-carbaldehyde
CAS Number:
30569-18-7
IUPAC Name:
(5-formyl-1-methylpyrrol-2-yl)methyl acetate
InChI:
InChI=1S/C9H11NO3/c1-7(12)13-6-9-4-3-8(5-11)10(9)2/h3-5H,6H2,1-2H3
InChI Key:
SGWNRXDQJJHFML-UHFFFAOYSA-N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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