Dimethyl 4-hydroxyphthalate

CAT: 0127-OR96061-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR96061-02Size:5 g

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CAS Number

22479-95-4

MDL Number

MFCD00060092

Purity

98%

Smiles

O=C(OC)C1=CC=C(O)C=C1C(OC)=O

Chemical Information

Dimethyl 4-hydroxyphthalate

CAS Number	22479-95-4
PubChem CID	89726
IUPAC Name	dimethyl 4-hydroxybenzene-1,2-dicarboxylate
Molecular Formula	C10H10O5
Molecular Weight	210.18
XLogP	1.2
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	250

SMILES

COC(=O)C1=C(C=C(C=C1)O)C(=O)OC

InChI

InChI=1S/C10H10O5/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5,11H,1-2H3

InChIKey

JJXVDRYFBGDXOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22479-95-4

CID: 89726

Formula: C10H10O5

MW: 210.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.18
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	210.05282342
Monoisotopic Mass	210.05282342
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	250
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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Catalog	Name
FD144427-01	Dimethyl 4-hydroxyphthalate
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MBS6077633-01	Dimethyl-4,4'-dithiobiscinnamate
FD62602-01	Dimethyl 4,4'-biphenyldicarboxylate
TRC-D472700-2G	Dimethyl-4,4’-dithiobiscinnamate
FD70321	Dimethyl 4-nitrophthalate
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