Dimethyl Phthalate-13C2

CAT: 0572-TRC-D477977-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D477977-10MGSize:10 mg

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CAS Number

1346598-73-9

Synonyms

1,2-Benzenedicarboxylic Acid 1,2-Dimethyl-13C2 Ester; Avolin-13C2; DMF-13C2; DMP-13C2; Dimethyl-13C2 1,2-Benzenedicarboxylate; Dimethyl-13C2 o-Phthalate; Dimethyl-13C2 Phthalate; Fermine-13C2; Mipax-13C2; NSC 15398-13C2; NTM-13C2; Palatinol M-13C2; Repeftal-13C2; Solvanom-13C2; Solvarone-13C2; Unimoll DM-13C2;

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

[13CH3]OC(=O)c1ccccc1C(=O)O[13CH3]

Molecular Formula

C813C2H10O4

Molecular Weight

196.17

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Dimethyl Phthalate-13C2

CAS Number	1346598-73-9
PubChem CID	131668060
IUPAC Name	di(113C)methyl benzene-1,2-dicarboxylate
Molecular Formula	C10H10O4
Molecular Weight	196.17
XLogP	1.6
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	200

SMILES

[13CH3]OC(=O)C1=CC=CC=C1C(=O)O[13CH3]

InChI

InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/i1+1,2+1

InChIKey

NIQCNGHVCWTJSM-ZDOIIHCHSA-N

Chemical Structure

2D Structure

CAS: 1346598-73-9

CID: 131668060

Formula: C10H10O4

MW: 196.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	196.17
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.06461847
Monoisotopic Mass	196.06461847
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	200
Isotope Atom Count	2
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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Dimethyl Phthalate-13C2

Chemical Information

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