4- (1-Hydroxy-ethyl) -benzoic acid

CAT: 0024-sc-335941Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-335941Size:1 g

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CAS Number

97364-15-3

Chemical Information

4-(1-Hydroxyethyl)benzoic acid

CAS Number	97364-15-3
PubChem CID	506061
IUPAC Name	4-(1-hydroxyethyl)benzoic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

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

InChI

InChI=1S/C9H10O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3,(H,11,12)

InChIKey

UBXQIJLWYJGCCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97364-15-3

CID: 506061

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-315459	4-[4- (2-Hydroxy-ethyl) -piperazin-1-yl]-benzoic acid
sc-315461	4-[4- (2-Hydroxy-ethyl) -piperazin-1-ylmethyl]-benzoic acid
sc-315460	4-[4- (2-Hydroxy-ethyl) -piperazin-1-yl]-benzoic acid hydrochloride
sc-336258	4-[4- (2-Hydroxy-ethyl) -piperazin-1-ylmethyl]-benzoic acid methyl ester
sc-336175	4-[ (1-Hydroxy-4-Sulfonaphthalene-2-Carbonyl) amino] benzoic acid ethyl ester
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sc-261994	4-Hydroxy-3- (trifluoromethyl) benzoic acid
sc-261991	4-Hydroxy-2- (trifluoromethyl) benzoic acid

Catalog	Name
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