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Home > Aldehydes > 247172-40-3
247172-40-3 | Benzaldehyde, 3,3'-methylenebis[6-hydroxy-5-methyl-
CAS No: 247172-40-3 Catalog No: AG002P6P MDL No:
Product Description
Catalog Number:
AG002P6P
Chemical Name:
Benzaldehyde, 3,3'-methylenebis[6-hydroxy-5-methyl-
CAS Number:
247172-40-3
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
5-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzaldehyde
InChI:
InChI=1S/C17H16O4/c1-10-3-12(6-14(8-18)16(10)20)5-13-4-11(2)17(21)15(7-13)9-19/h3-4,6-9,20-21H,5H2,1-2H3
InChI Key:
NPPZYRRJNAXWID-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cc2cc(C)c(c(c2)C=O)O)cc(c1O)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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