MIF098

CAT: 0127-BUP01584-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01584-02Size:5 mg

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

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CAS Number

1208448-95-6

Purity

=98%

Smiles

Cc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1

Chemical Information

3-(3-Hydroxybenzyl)-5-methylbenzooxazol-2-one

CAS Number	1208448-95-6
PubChem CID	44631884
IUPAC Name	3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
Molecular Formula	C15H13NO3
Molecular Weight	255.27
XLogP	2.8
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	346

SMILES

CC1=CC2=C(C=C1)OC(=O)N2CC3=CC(=CC=C3)O

InChI

InChI=1S/C15H13NO3/c1-10-5-6-14-13(7-10)16(15(18)19-14)9-11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3

InChIKey

JJXKGUBHEQGADG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1208448-95-6

CID: 44631884

Formula: C15H13NO3

MW: 255.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.27
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	255.08954328
Monoisotopic Mass	255.08954328
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	346
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

Catalog	Name
T60388-01	MIF098