RO-61-3662

CAT: 0931-T34379-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T34379-01Size:25 mg

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

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CAS Number

254912-17-9

Target

Others

Related Pathways

Others

Bioactivity

RO-61-3662 is a bioactive chemical.

Smiles

O=C(C1=CC=C(C=C1)C)C2=CC(O)=C(O)C(N)=C2

Molecular Formula

C14H13NO3

Molecular Weight

243.26

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

RO-61-3662

(3-amino-4,5-dihydroxyphenyl)-(4-methylphenyl)methanone is a member of benzophenones.

CAS Number	254912-17-9
PubChem CID	86206254
IUPAC Name	(3-amino-4,5-dihydroxyphenyl)-(4-methylphenyl)methanone
Molecular Formula	C14H13NO3
Molecular Weight	243.26
XLogP	2.2
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	299

SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)N

InChI

InChI=1S/C14H13NO3/c1-8-2-4-9(5-3-8)13(17)10-6-11(15)14(18)12(16)7-10/h2-7,16,18H,15H2,1H3

InChIKey

DXEPTAYUUHUOGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 254912-17-9

CID: 86206254

Formula: C14H13NO3

MW: 243.26

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	243.26
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	243.08954328
Monoisotopic Mass	243.08954328
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	299
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

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Alternative Products

Catalog	Name
MBS5783885	RO-61-3662
256489-01	Ro 61-8048
MBS5783883	RO-61-0591
MBS5778270	Ro 61-1448
MBS5783884	RO-61-0593

RO-61-3662

Chemical Information

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