MN-64

CAT: 0127-BUP13662-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13662-02Size:50 mg

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

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CAS Number

92831-11-3

Synonyms

MN64

Purity

=98%

Smiles

CC(C)c1ccc(cc1)-c1cc(=O)c2ccccc2o1

Chemical Information

4'-Isopropylflavone

CAS Number	92831-11-3
PubChem CID	2802462
IUPAC Name	2-(4-propan-2-ylphenyl)chromen-4-one
Molecular Formula	C18H16O2
Molecular Weight	264.3
XLogP	4.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	388

SMILES

CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3

InChIKey

PYTOHIUBXSJKQH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92831-11-3

CID: 2802462

Formula: C18H16O2

MW: 264.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.3
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	264.115029749
Monoisotopic Mass	264.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	388
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