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Home > Aldehydes > 714916-56-0
714916-56-0 | Benzaldehyde, 5-(azidomethyl)-3-(1,1-dimethylethyl)-2-hydroxy-
CAS No: 714916-56-0 Catalog No: AG0066OK MDL No:
Product Description
Catalog Number:
AG0066OK
Chemical Name:
Benzaldehyde, 5-(azidomethyl)-3-(1,1-dimethylethyl)-2-hydroxy-
CAS Number:
714916-56-0
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
5-(azidomethyl)-3-tert-butyl-2-hydroxybenzaldehyde
InChI:
InChI=1S/C12H15N3O2/c1-12(2,3)10-5-8(6-14-15-13)4-9(7-16)11(10)17/h4-5,7,17H,6H2,1-3H3
InChI Key:
JXCURTYTIIFFJK-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCc1cc(C=O)c(c(c1)C(C)(C)C)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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