2- (2-methoxy-2-oxoethyl) benzoic acid

CAT: 1731-AP KR 0007-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AP KR 0007-01Size:1 mg

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CAS Number

14736-50-6

MDL Number

MFCD00661540

Purity

0.95

Smiles

COC (=O) Cc1ccccc1C (=O) O

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

Benzoic acid, 2-(2-methoxy-2-oxoethyl)-

CAS Number	14736-50-6
PubChem CID	177459
IUPAC Name	2-(2-methoxy-2-oxoethyl)benzoic acid
Molecular Formula	C10H10O4
Molecular Weight	194.18
XLogP	1.2
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	224

SMILES

COC(=O)CC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C10H10O4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3,(H,12,13)

InChIKey

UKPMFGARCZOXDI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14736-50-6

CID: 177459

Formula: C10H10O4

MW: 194.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.18
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	194.05790880
Monoisotopic Mass	194.05790880
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224
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
AP KR 0009-01	2,4-dimethoxy-6- (2-methoxy-2-oxoethyl) benzoic acid
AP KR 0047-01	2,6-dihydroxy-3-methoxycarbonyl-4- (2-methoxy-2-oxoethyl) benzoic acid
AP KR 0064-01	2-[2-[ (2-methylpropan-2-yl) oxy]-2-oxoethyl]benzoic acid
AL BO 0994-01	2-methoxy-4- (trifluoromethyl) benzoic acid
GT HW 3436-01	Methyl 2-[2-methoxy-3- (2-methoxy-2-oxoethyl) phenyl]acetate
AL BE 0310-01	4-[ (2-chloro-6-fluorophenyl) methoxy]benzoic acid
AM UC 0412-01	Methyl 2-[ (2-methoxy-2-oxoethyl) sulfamoylamino]-3-methylbutanoate
AM UC 0413-01	Methyl 2-[ (2-methoxy-2-oxoethyl) sulfamoylamino]-3-phenylpropanoate
AM UC 0414-01	Methyl 2-[ (2-methoxy-2-oxoethyl) sulfamoylamino]-4-methylpentanoate
FH 1C 0004-01	2- (2-phenylphenyl) benzoic acid

Catalog	Name
PAA73650	2- (2-methoxy-2-oxoethyl) benzoic acid
OR82932-01	3- (2-Methoxy-2-oxoethyl) benzoic acid
OR75986-01	4- (2-Methoxy-2-oxoethyl) benzoic acid
OR1103181-01	3- ((2-Methoxy-2-oxoethyl) amino) benzoic acid
AVD26191-01	2- (2-Cyclopropyl-2-oxoethyl) benzoic acid
TRC-B414145-5MG	4-[Bis(2-methoxy-2-oxoethyl)amino]-3-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-5-methylphenoxy]ethoxy]-benzoic Acid
430039-01	4-[Bis (2-methoxy-2-oxoethyl) amino]-3-[2-[2-[bis (2-methoxy-2-oxoethyl) amino]-5-methylphenoxy]ethoxy]-benzoic Acid
sc-259406A	2-[ (2-Ethoxy-2-oxoethyl) thio]benzoic acid
sc-352192A	2-{[2- (cyclopropylamino) -2-oxoethyl]thio}benzoic acid
sc-352193	2-{[2- (dimethylamino) -2-oxoethyl]thio}benzoic acid