Benzoic Acid-d5 Ethyl Ester

CAT: 0024-sc-503373Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-503373Size:10 mg

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CAS Number

54354-03-9

Chemical Information

Benzoic Acid-d5 Ethyl Ester

See also: Ethyl benzoate (annotation moved to); Benzoic acid, C12-13-alkyl esters (annotation moved to); Benzoic acid, C14-15-alkyl esters (annotation moved to) ... View More ...

CAS Number	54354-03-9
PubChem CID	12201047
IUPAC Name	ethyl 2,3,4,5,6-pentadeuteriobenzoate
Molecular Formula	C9H10O2
Molecular Weight	155.20
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	126

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)OCC)[2H])[2H]

InChI

InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/i3D,4D,5D,6D,7D

InChIKey

MTZQAGJQAFMTAQ-DKFMXDSJSA-N

Chemical Structure

2D Structure

CAS: 54354-03-9

CID: 12201047

Formula: C9H10O2

MW: 155.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	155.20
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	155.099463287
Monoisotopic Mass	155.099463287
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126
Isotope Atom Count	5
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
TRC-B203907-100MG	Benzoic Acid-d5 Ethyl Ester
HY-W744842	γ-Linolenic acid ethyl ester-d5
HY-107343S-01	Docosahexaenoic acid ethyl ester-d5
HY-W743695	Dexamethasone acid ethyl ester-d5
163705	Dexamethasone-d5 Acid Ethyl Ester
467306-01	Tetracosanoic Acid Ethyl-d5 Ester
463065	Propionic Acid Ethyl-d5 Ester
452766	Isovaleric Acid Ethyl-d5 Ester
442206	Behenic Acid Ethyl-d5 Ester
TRC-S686462-25MG	Stearidonic Acid Ethyl Ester-d5

Benzoic Acid-d5 Ethyl Ester

Chemical Information

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