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69088-96-6 | 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol
CAS No: 69088-96-6 Catalog No: AG0033SU MDL No:MFCD06200785
Product Description
Catalog Number:
AG0033SU
Chemical Name:
4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol
CAS Number:
69088-96-6
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD06200785
IUPAC Name:
4-(3-aminophenyl)-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C11H13NO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8,13H,12H2,1-2H3
InChI Key:
DQPSETABKZMTEZ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C#CC(O)(C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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