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Also known as: 35364-15-9, 1-(2-amino-5-hydroxyphenyl)-1-propanone, 1-propanone,1-(2-amino-5-hydroxyphenyl)-, Schembl459040, Bcp32212, Mfcd16877176
Molecular Formula
C9H11NO2
Molecular Weight
165.19  g/mol
InChI Key
HHCZNCHGYNRIBP-UHFFFAOYSA-N

CAS 35364-15-9
1 2D Structure

CAS 35364-15-9

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 Weight 165.19 g/mol
Molecular Formula C9H11NO2
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area63.3
Heavy Atom Count12
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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