4-Methylphenyl benzoate

CAT: 0024-sc-232890Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232890Size:5 g

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CAS Number

614-34-6

Chemical Information

p-Cresol benzoate

CAS Number	614-34-6
PubChem CID	11962
IUPAC Name	(4-methylphenyl) benzoate
Molecular Formula	C14H12O2
Molecular Weight	212.24
XLogP	4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	223

SMILES

CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3

InChIKey

LLRZUDIHEZXFGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 614-34-6

CID: 11962

Formula: C14H12O2

MW: 212.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.24
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	212.083729621
Monoisotopic Mass	212.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	223
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

Catalog	Name
sc-232596	4-Chlorobutyl benzoate
sc-277581	4-Nitrophenyl benzoate
sc-226599	4-Chlorophenyl benzoate
sc-267566	4-Hydroxyphenyl benzoate
sc-485471	4-Biphenyl Benzoate
sc-226589	4-Chlorobenzyl benzoate
sc-284243	4-formylphenyl benzoate
sc-235753	Methyl 4- (4-formylphenyl) benzoate
sc-267471	4-Cyanophenyl 4-ethyl-benzoate
sc-267472	4-Cyanophenyl 4-propyl-benzoate

Catalog	Name
FH 1L 0063-01	(4-methylphenyl) benzoate
OR311257	Methyl 3- (4-methylphenyl) benzoate
FH 2C 0061-01	(2-bromo-4-methylphenyl) benzoate
OR1081970-01	Methyl 3-[ (4-methylphenyl) methoxy]benzoate
455521-01	Methyl 4-fluoro-3- (4-methylphenyl) benzoate
OR311245	Methyl 4-methyl-2- (4-methylphenyl) benzoate
FH HG 00G1-01	Ethyl 4- (4-methyl-N- (4-methylphenyl) anilino) benzoate
OR26805	Methyl 3,4-di{[ (4-methylphenyl) sulphonyl]amino}benzoate
FH TL 00A3-01	Methyl 2-[ (2-methoxycarbonylphenyl) - (4-methylphenyl) methyl]benzoate
OR1044532-01	3-Hydroxy-5-methylphenyl benzoate