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89004-69-3 | 1,3-Benzodioxole-5-carboxaldehyde, 4-phenyl-
CAS No: 89004-69-3 Catalog No: AG00450C MDL No:
Product Description
Catalog Number:
AG00450C
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 4-phenyl-
CAS Number:
89004-69-3
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
IUPAC Name:
4-phenyl-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C14H10O3/c15-8-11-6-7-12-14(17-9-16-12)13(11)10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
FOLJAFCPCVLCJP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1c1ccccc1)OCO2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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