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18159-24-5 | 1H-Pyrrole-2-carboxaldehyde, 1-(phenylmethyl)-
CAS No: 18159-24-5 Catalog No: AG0022YR MDL No:MFCD09674969
Product Description
Catalog Number:
AG0022YR
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-(phenylmethyl)-
CAS Number:
18159-24-5
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD09674969
IUPAC Name:
1-benzylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H11NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChI Key:
JNHZZTKKFSPICX-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1Cc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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