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Home > Other Heterocycles > 1415719-52-6
1415719-52-6 | 3-(4-Hydroxyphenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS No: 1415719-52-6 Catalog No: AG00HW2A MDL No:MFCD20116255
Product Description
Catalog Number:
AG00HW2A
Chemical Name:
3-(4-Hydroxyphenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS Number:
1415719-52-6
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD20116255
IUPAC Name:
3-(4-hydroxyphenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
InChI:
InChI=1S/C13H13NO3/c1-13(2)9-10(13)12(17)14(11(9)16)7-3-5-8(15)6-4-7/h3-6,9-10,15H,1-2H3
InChI Key:
WKOAIGCEIKPCKN-UHFFFAOYSA-N
SMILES:
O=C1C2C(C2(C)C)C(=O)N1c1ccc(cc1)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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