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30186-45-9 | 1-isopropyl-1H-pyrrole-3-carbaldehyde
CAS No: 30186-45-9 Catalog No: AG00BF9F MDL No:MFCD11695054
Product Description
Catalog Number:
AG00BF9F
Chemical Name:
1-isopropyl-1H-pyrrole-3-carbaldehyde
CAS Number:
30186-45-9
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD11695054
IUPAC Name:
1-propan-2-ylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C8H11NO/c1-7(2)9-4-3-8(5-9)6-10/h3-7H,1-2H3
InChI Key:
BXQBOJJFXALBGZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(c1)C(C)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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