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89004-63-7 | Benzaldehyde, 2-amino-4,5-bis(phenylmethoxy)-
CAS No: 89004-63-7 Catalog No: AG00450E MDL No:
Product Description
Catalog Number:
AG00450E
Chemical Name:
Benzaldehyde, 2-amino-4,5-bis(phenylmethoxy)-
CAS Number:
89004-63-7
Molecular Formula:
C21H19NO3
Molecular Weight:
333.3805
IUPAC Name:
2-amino-4,5-bis(phenylmethoxy)benzaldehyde
InChI:
InChI=1S/C21H19NO3/c22-19-12-21(25-15-17-9-5-2-6-10-17)20(11-18(19)13-23)24-14-16-7-3-1-4-8-16/h1-13H,14-15,22H2
InChI Key:
KYFFEDBBVGGFNA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OCc2ccccc2)c(cc1N)OCc1ccccc1
NSC Number:
672647
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.387g/mol
Monoisotopic Mass:
333.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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