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1014-07-9 | 2-phenylpyrimidine-4-carbaldehyde
CAS No: 1014-07-9 Catalog No: AG01AB1N MDL No:MFCD10696995
Product Description
Catalog Number:
AG01AB1N
Chemical Name:
2-phenylpyrimidine-4-carbaldehyde
CAS Number:
1014-07-9
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD10696995
IUPAC Name:
2-phenylpyrimidine-4-carbaldehyde
InChI:
InChI=1S/C11H8N2O/c14-8-10-6-7-12-11(13-10)9-4-2-1-3-5-9/h1-8H
InChI Key:
SORDGBNHSLTTHQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(n1)c1ccccc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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