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307930-48-9 | Benzaldehyde, 4-(di-1H-pyrrol-2-ylmethyl)-
CAS No: 307930-48-9 Catalog No: AG0031AI MDL No:
Product Description
Catalog Number:
AG0031AI
Chemical Name:
Benzaldehyde, 4-(di-1H-pyrrol-2-ylmethyl)-
CAS Number:
307930-48-9
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
4-[bis(1H-pyrrol-2-yl)methyl]benzaldehyde
InChI:
InChI=1S/C16H14N2O/c19-11-12-5-7-13(8-6-12)16(14-3-1-9-17-14)15-4-2-10-18-15/h1-11,16-18H
InChI Key:
AVADWGOKHUVMJS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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