Monobenzyl Terephthalate

CAT: 0572-TRC-M524930-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M524930-10MGSize:10 mg

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CAS Number

18520-63-3

Synonyms

1,4-Benzenedicarboxylic Acid Mono(phenylmethyl) Ester; Terephthalic Acid Benzyl Ester; Terephthalic Acid Monobenzyl Ester; Monobenzyl 1,4-Benzenedicarboxylate; Monobenzyl Terephthalate; p-(Benzyloxycarbonyl)benzoic Acid

Hazard Statement

Not a hazardous substance according to GHS.

Smiles

COc1cc2c(cc1)c3c(c(C)ncc3)n2

Molecular Formula

C15H12O4

Molecular Weight

256.25

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

4-((Benzyloxy)carbonyl)benzoic acid

CAS Number	18520-63-3
PubChem CID	10587157
IUPAC Name	4-phenylmethoxycarbonylbenzoic acid
Molecular Formula	C15H12O4
Molecular Weight	256.25
XLogP	3.5
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	312

SMILES

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

InChI

InChI=1S/C15H12O4/c16-14(17)12-6-8-13(9-7-12)15(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)

InChIKey

RGRIMQYNCUGNDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18520-63-3

CID: 10587157

Formula: C15H12O4

MW: 256.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	256.25
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	256.07355886
Monoisotopic Mass	256.07355886
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	312
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

Related Products

Catalog	Name
TRC-M524933-100MG	Monobenzyl Miglustat
TRC-M524880-1G	Monobenzyl Malonate
TRC-M524660-25MG	Monobenzyl Fosaprepitant
TRC-M524905-1G	Monobenzyl Adipate
TRC-M524905-10G	Monobenzyl Adipate
TRC-M524900-50MG	Monobenzyl Phthalate
TRC-M524880-25G	Monobenzyl Malonate
TRC-M524880-10G	Monobenzyl Malonate
TRC-M524900-100MG	Monobenzyl Phthalate
TRC-M524900-250MG	Monobenzyl Phthalate

Alternative Products

Catalog	Name
GTR19268033-01	Monobenzyl Terephthalate
HY-Z1081R-01	Monobenzyl Terephthalate (Standard)
165025	Monobenzyl Adipate
HY-W011848-01	Monobenzyl phthalate
456516-01	Monobenzyl Miglustat
456515-01	Monobenzyl Malonate
456513-01	Monobenzyl Fosaprepitant
456514-01	Monobenzyl Fosaprepitant-d4
FH02681-01	Hydroquinone monobenzyl ether
HY-W011848R-01	Monobenzyl phthalate (Standard)

Monobenzyl Terephthalate

Chemical Information

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