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1-Benzyloxy-5-hydroxynaphthalene

CAT: 0572-TRC-B287885-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B287885-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109972-84-1
Synonyms
5-(Benzyloxy)-alpha-naphthol; 5-(Phenylmethoxy)-1-naphthalenol
Hazard Statement
No Data Available
Smiles
CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-]
Molecular Formula
C17 H17 N3 O4
Molecular Weight
327.335
InChI
InChI=1S/C17H17N3O4/c1-12(21)18-16(11-13-5-3-2-4-6-13)17(22)19-14-7-9-15(10-8-14)20(23)24/h2-10,16H,11H2,1H3,(H,18,21)(H,19,22)/t16-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-acetamido-N-(4-nitrophenyl)-3-phenylpropanamide
Shipping Conditions
Room Temperature

Chemical Information

Ac-Phe-pNA
CAS Number109972-84-1
PubChem CID7259580
IUPAC Name(2S)-2-acetamido-N-(4-nitrophenyl)-3-phenylpropanamide
Molecular FormulaC17H17N3O4
Molecular Weight327.33
XLogP1.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity449
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O4/c1-12(21)18-16(11-13-5-3-2-4-6-13)17(22)19-14-7-9-15(10-8-14)20(23)24/h2-10,16H,11H2,1H3,(H,18,21)(H,19,22)/t16-/m0/s1
InChIKey
TZLBBSYDVWOTKB-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Ac-Phe-pNA
CAS: 109972-84-1
CID: 7259580
Formula: C17H17N3O4
MW: 327.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.33
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass327.12190603
Monoisotopic Mass327.12190603
Topological Polar Surface Area104 Ų
Heavy Atom Count24
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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408878-011-Benzyloxy-5-hydroxynaphthalene
OR55095-011-Bromo-5-hydroxynaphthalene
CAA43716-015-hydroxynaphthalene-1-carboxylic acid
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AP KR 0041-015-hydroxynaphthalene-1,4-dione
BW GA 0280-012-chloro-5-hydroxynaphthalene-1,4-dione
AP KR 0470-012-bromo-5-hydroxynaphthalene-1,4-dione
BW GC 0047-012-anilino-5-hydroxynaphthalene-1,4-dione
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