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98959-55-8 | 4-amino-2-(propan-2-yl)phenol hydrochloride
CAS No: 98959-55-8 Catalog No: AG01FMBU MDL No:MFCD30486217
Product Description
Catalog Number:
AG01FMBU
Chemical Name:
4-amino-2-(propan-2-yl)phenol hydrochloride
CAS Number:
98959-55-8
Molecular Formula:
C9H14ClNO
Molecular Weight:
187.6666
MDL Number:
MFCD30486217
IUPAC Name:
4-amino-2-propan-2-ylphenol;hydrochloride
InChI:
InChI=1S/C9H13NO.ClH/c1-6(2)8-5-7(10)3-4-9(8)11;/h3-6,11H,10H2,1-2H3;1H
InChI Key:
FGUHBALMKUBTFI-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(C)C)O.Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.667g/mol
Monoisotopic Mass:
187.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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