PSB-12054

CAT: 0926-HGC63207-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-HGC63207-01Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1407632-07-8

MDL Number

MFCD25563252

Smiles

C1=CC=C (C=C1) COC (=O) N2C3=CC=CC=C3OC4=CC=CC=C42

Molecular Formula

C20H15NO3

Molecular Weight

317.34 g/mol

Controlled

Chemical Information

Psb-12054

CAS Number	1407632-07-8
PubChem CID	60168729
IUPAC Name	benzyl phenoxazine-10-carboxylate
Molecular Formula	C20H15NO3
Molecular Weight	317.3
XLogP	4.3
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	413

SMILES

C1=CC=C(C=C1)COC(=O)N2C3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2

InChIKey

KGVCOYMLGBNCDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1407632-07-8

CID: 60168729

Formula: C20H15NO3

MW: 317.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.3
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	317.10519334
Monoisotopic Mass	317.10519334
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	413
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
Compound Is Canonicalized	Yes