Benzyl 2-oxopropanoate

CAT: 0127-OR1037475Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1037475Size:100 mg

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CAS Number

18854-19-8

MDL Number

MFCD18432353

Purity

98%

Smiles

CC(=O)C(=O)OCC1=CC=CC=C1

Chemical Information

Benzyl 2-oxopropanoate

CAS Number	18854-19-8
PubChem CID	11769098
IUPAC Name	benzyl 2-oxopropanoate
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)C(=O)OCC1=CC=CC=C1

InChI

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

InChIKey

CNNBRFOPQDCGFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18854-19-8

CID: 11769098

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
OR1065049-01	Benzyl 2,2-dimethyl-3-oxopropanoate
OR1053321-01	Propyl 2-oxopropanoate
BUP19889	Sodium 2-oxopropanoate
OR370056-01	Isopropyl 2-oxopropanoate
OR7781-01	Ethyl 2-oxopropanoate
OR1031624	Sodium 2-oxopropanoate-13C3
OR1070484-01	Tert-Butyl 2-oxopropanoate
OR939384	Ethyl 3-cyano-2-oxopropanoate
OR300519-01	Ethyl 2-chloro-3-oxopropanoate
OR300674-01	Methyl 2-chloro-3-oxopropanoate

Catalog	Name
XDA53410	Benzyl 2,2-dimethyl-3-oxopropanoate
TRC-M312830-1G	Methyl 3-(4-Hydroxy-benzyl)-3-oxopropanoate
016939	Methyl 3- (4-Hydroxy-benzyl) -3-oxopropanoate
sc-326232	Benzyl- (2-methoxy-benzyl) -amine
sc-326231	Benzyl- (2-fluoro-benzyl) -amine
sc-285005	Benzyl- (2-chloro-benzyl) -amine
sc-326238	Benzyl- (2,3-dimethoxy-benzyl) -amine
sc-326241	Benzyl- (2,4-dimethoxy-benzyl) -amine
sc-326242	Benzyl- (2,5-dimethoxy-benzyl) -amine
266245-01	Benzyl 2,2-diethoxyethylcarbamate