Meconin-d3

CAT: 0572-TRC-M202902-5MGSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M202902-5MGSize:5 mg

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

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CAS Number

29809-15-2

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

[2H]C([2H])([2H])Oc1c(OC)ccc2COC(=O)c12

Molecular Formula

C10H7D3O4

Molecular Weight

197.2

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Meconin-d3

CAS Number	29809-15-2
PubChem CID	71749883
IUPAC Name	6-methoxy-7-(trideuteriomethoxy)-3H-2-benzofuran-1-one
Molecular Formula	C10H10O4
Molecular Weight	197.20
XLogP	1.3
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	228

SMILES

[2H]C([2H])([2H])OC1=C(C=CC2=C1C(=O)OC2)OC

InChI

InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3/i2D3

InChIKey

ORFFGRQMMWVHIB-BMSJAHLVSA-N

Chemical Structure

2D Structure

CAS: 29809-15-2

CID: 71749883

Formula: C10H10O4

MW: 197.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	197.20
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	197.07673903
Monoisotopic Mass	197.07673903
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	228
Isotope Atom Count	3
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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Meconin-d3

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