4- (2-Hydroxyethyl) benzoic acid

CAT: 0024-sc-471914Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-471914Size:250 mg

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CAS Number

46112-46-3

Chemical Information

4-(2-Hydroxyethyl)benzoic acid

CAS Number	46112-46-3
PubChem CID	506062
IUPAC Name	4-(2-hydroxyethyl)benzoic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.7
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	148

SMILES

C1=CC(=CC=C1CCO)C(=O)O

InChI

InChI=1S/C9H10O3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2,(H,11,12)

InChIKey

FUWHCTSQIAULAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 46112-46-3

CID: 506062

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148
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-348505A	4-[ (2-hydroxyethyl) amino]benzoic acid
sc-348505	4-[ (2-hydroxyethyl) amino]benzoic acid
sc-348913A	4-{[ (2-hydroxyethyl) (methyl) amino]sulfonyl}benzoic acid
sc-348913	4-{[ (2-hydroxyethyl) (methyl) amino]sulfonyl}benzoic acid
sc-344724	3-[ (2-hydroxyethyl) amino]benzoic acid
sc-344724A	3-[ (2-hydroxyethyl) amino]benzoic acid
sc-495377	4- (2-Hydroxy-3-isopropylaminopropoxy) benzoic Acid 2-Hydroxyethyl Ester
sc-312121	3-[Bis (2-hydroxyethyl) amino]benzoic acid
sc-214213A	4- (Hydroxymethyl) benzoic acid
sc-214213	4- (Hydroxymethyl) benzoic acid

Catalog	Name
FH55443-01	4- (2-Hydroxyethyl) benzoic acid
TRC-H941998-1G	3-(2-Hydroxyethyl)benzoic Acid
OR77750-01	3- (2-Hydroxyethyl) benzoic acid
422487	3- (2-Hydroxyethyl) benzoic Acid
ICA98052-01	2-[ (2-Hydroxyethyl) sulfanyl]benzoic acid
OR85861-01	2-[ (2-hydroxyethyl) amino]benzoic acid
YLB23228-01	3-[ (2-Hydroxyethyl) amino]benzoic acid
OR87657-01	3- ((2-Hydroxyethyl) amino) benzoic acid
SEA82134-01	4-[ (2-Hydroxyethyl) amino]benzoic acid
OR1052723-01	4- ((2-Hydroxyethyl) thio) benzoic acid