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71856-95-6 | Benzaldehyde, 3-benzoyl-
CAS No: 71856-95-6 Catalog No: AG0061VM MDL No:
Product Description
Catalog Number:
AG0061VM
Chemical Name:
Benzaldehyde, 3-benzoyl-
CAS Number:
71856-95-6
Molecular Formula:
C14H10O2
Molecular Weight:
210.2280
IUPAC Name:
3-benzoylbenzaldehyde
InChI:
InChI=1S/C14H10O2/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-10H
InChI Key:
RBBOPKWXELESAN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C(=O)c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.232g/mol
Monoisotopic Mass:
210.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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