1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-amino-5-hydroxyphenyl)propan-1-one

2.1.2 InChI

InChI=1S/C9H11NO2/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,11H,2,10H2,1H3

2.1.3 InChI Key

HHCZNCHGYNRIBP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)C1=C(C=CC(=C1)O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 35364-15-9

2. 1-(2-amino-5-hydroxyphenyl)-1-propanone

3. 1-propanone,1-(2-amino-5-hydroxyphenyl)-

4. Schembl459040

5. Bcp32212

6. Mfcd16877176

7. Akos015890633

8. Sy316861

9. 1-(2-amino-5-hydroxyphenyl)propane-1-one

10. F70655

11. A1-05708

12. 1-propanone,1-(2-amino-5-hydroxyphenyl)-;2-amino-5-hydroxypropiophenone

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁NO₂
Molecular Weight	165.19 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	63.3
Heavy Atom Count	12
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 35364-15-9