Cearoin

CAT: 0127-BUP24064-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP24064-04Size:25 mg

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CAS Number

52811-37-7

Synonyms

2,5-Dihydroxy-4-methoxybenzophenone

MDL Number

MFCD02113679

Purity

≥98%

Smiles

O=C (C=1C=CC=CC1) C=2C=C (O) C (OC) =CC2O

Chemical Information

2,5-Dihydroxy-4-methoxybenzophenone

(2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone is a member of benzophenones.

CAS Number	52811-37-7
PubChem CID	3938139
IUPAC Name	(2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone
Molecular Formula	C14H12O4
Molecular Weight	244.24
XLogP	3.1
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	286

SMILES

COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H12O4/c1-18-13-8-11(15)10(7-12(13)16)14(17)9-5-3-2-4-6-9/h2-8,15-16H,1H3

InChIKey

NFJVELXCUBWAFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52811-37-7

CID: 3938139

Formula: C14H12O4

MW: 244.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.24
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	244.07355886
Monoisotopic Mass	244.07355886
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	286
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
BUP06699-01	Ceapin-A7