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221021-36-9 | Methyl 3'-formyl-[1,1'-biphenyl]-4-carboxylate
CAS No: 221021-36-9 Catalog No: AG003RS9 MDL No:MFCD04039122
Product Description
Catalog Number:
AG003RS9
Chemical Name:
Methyl 3'-formyl-[1,1'-biphenyl]-4-carboxylate
CAS Number:
221021-36-9
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
MDL Number:
MFCD04039122
IUPAC Name:
methyl 4-(3-formylphenyl)benzoate
InChI:
InChI=1S/C15H12O3/c1-18-15(17)13-7-5-12(6-8-13)14-4-2-3-11(9-14)10-16/h2-10H,1H3
InChI Key:
AQDLVJIWBSWMFZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1cccc(c1)C=O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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