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Home > Nitro Compounds > 68808-74-2
68808-74-2 | 4-hydroxybunitrolol
CAS No: 68808-74-2 Catalog No: AG00FSTY MDL No:
Product Description
Catalog Number:
AG00FSTY
Chemical Name:
4-hydroxybunitrolol
CAS Number:
68808-74-2
IUPAC Name:
2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-hydroxybenzonitrile
InChI:
InChI=1S/C14H20N2O3/c1-14(2,3)16-8-12(18)9-19-13-5-4-11(17)6-10(13)7-15/h4-6,12,16-18H,8-9H2,1-3H3
InChI Key:
YKEYQHVHOYKQGR-UHFFFAOYSA-N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.325g/mol
Monoisotopic Mass:
264.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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