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84824-96-4 | Phenol,4-(1,1-dimethylethyl)-3,6-dimethyl-2-(4-morpholinylmethyl)-
CAS No: 84824-96-4 Catalog No: AG004X34 MDL No:
Product Description
Catalog Number:
AG004X34
Chemical Name:
Phenol,4-(1,1-dimethylethyl)-3,6-dimethyl-2-(4-morpholinylmethyl)-
CAS Number:
84824-96-4
Molecular Formula:
C17H27NO2
Molecular Weight:
277.4018
IUPAC Name:
4-tert-butyl-3,6-dimethyl-2-(morpholin-4-ylmethyl)phenol
InChI:
InChI=1S/C17H27NO2/c1-12-10-15(17(3,4)5)13(2)14(16(12)19)11-18-6-8-20-9-7-18/h10,19H,6-9,11H2,1-5H3
InChI Key:
WXCJDPZMVFVADC-UHFFFAOYSA-N
SMILES:
Cc1cc(c(c(c1O)CN1CCOCC1)C)C(C)(C)C
EC Number:
284-249-2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.408g/mol
Monoisotopic Mass:
277.204g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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