2-Oxopropyl benzoate

CAT: 0127-OR943264-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR943264-01Size:250 mg

Selected

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

Quick Request Actions

CAS Number

6656-60-6

MDL Number

MFCD01660185

Purity

98%

Smiles

CC(=O)COC(=O)c1ccccc1

Chemical Information

Benzoic acid, acetylmethyl ester

CAS Number	6656-60-6
PubChem CID	23137
IUPAC Name	2-oxopropyl benzoate
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	1.5
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	192

SMILES

CC(=O)COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H10O3/c1-8(11)7-13-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

JJANSRGIKCRCFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6656-60-6

CID: 23137

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	192
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
PC1013186-01	Methyl 2-fluoro-5- (1-oxopropyl) benzoate
PC1013022-01	Methyl 2-fluoro-3- (1-oxopropyl) benzoate
OR1092535-01	Methyl 3- (2-methyl-1-oxopropyl) benzoate
OR1085821-01	Methyl 2-methyl-5- (1-oxopropyl) benzoate
OR1085438-01	Methyl 4- (2-methyl-1-oxopropyl) benzoate
OR73095-01	Methyl 4- (3-oxopropyl) benzoate
OR1088807-01	Ethyl 4- (2-methyl-1-oxopropyl) benzoate
OR1094343	Ethyl 4- (1-oxopropyl) benzoate
OR1094769	Ethyl 3- (2,2-dimethyl-1-oxopropyl) benzoate
OR310407-01	Methyl 2- (2-cyano-3-ethoxy-3-oxopropyl) benzoate

Catalog	Name
FH TL 00A5-01	Methyl 2-[1- (2-methoxycarbonylphenyl) -2-oxopropyl]benzoate
FAA32595-01	2-Cyanoethyl benzoate
417202-01	2-Chlorophenyl Benzoate
RG-A262361-01	2-Hydroxypropyl Benzoate
sc-485992	2-Ethylhexyl Benzoate
sc-274980	2-Methoxyphenyl benzoate
FN62001	2-Naphthyl Benzoate
AAA09433-01	2-Hydroxyethyl benzoate
sc-230074	2-Bromoethyl benzoate
sc-334884	2- (Pentafluoropropenyl) benzoate