4- (2-Hydroxyethoxycarbonyl) benzoate

CAT: 0926-FH179117-01Size: 0.025 gDry Ice: NoHazardous: No

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CAS Number

1137-99-1

Smiles

C1=CC (=CC=C1C (=O) O) C (=O) OCCO

Molecular Formula

C10H10O5

Molecular Weight

210.18 g/mol

Controlled

Chemical Information

4-((2-Hydroxyethoxy)carbonyl)benzoic acid

4-[(2-hydroxyethoxy)carbonyl]benzoic acid is a dicarboxylic acid monoester that resulting from the formal condensation of one of the carboxy groups of terephthalic acid with one of the hydroxy groups of ethylene glycol. It is functionally related to a terephthalic acid and an ethylene glycol. It is a conjugate acid of a 4-[(2-hydroxyethoxy)carbonyl]benzoate.

CAS Number	1137-99-1
PubChem CID	174073
IUPAC Name	4-(2-hydroxyethoxycarbonyl)benzoic acid
Molecular Formula	C10H10O5
Molecular Weight	210.18
XLogP	0.6
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	230

SMILES

C1=CC(=CC=C1C(=O)O)C(=O)OCCO

InChI

InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)

InChIKey

BCBHDSLDGBIFIX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1137-99-1

CID: 174073

Formula: C10H10O5

MW: 210.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	210.18
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	210.05282342
Monoisotopic Mass	210.05282342
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	230
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

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OR1030528-01	2-Bromoethyl Benzoate
OR1010566-01	2-Naphthyl benzoate
T203967-01	2-Phenylethyl Benzoate
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4- (2-Hydroxyethoxycarbonyl) benzoate

Chemical Information

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