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120777-22-2 | 1-phenyl-1H-pyrrole-3-carbaldehyde
CAS No: 120777-22-2 Catalog No: AG01AM7X MDL No:MFCD06797716
Product Description
Catalog Number:
AG01AM7X
Chemical Name:
1-phenyl-1H-pyrrole-3-carbaldehyde
CAS Number:
120777-22-2
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD06797716
IUPAC Name:
1-phenylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C11H9NO/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-9H
InChI Key:
BLAZTBDCCWAUMD-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(c1)c1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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