2- (allyloxy) benzoic acid

CAT: 0024-sc-340089ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-340089ASize:5 g

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CAS Number

59086-52-1

Chemical Information

2-(Allyloxy)benzoic acid

CAS Number	59086-52-1
PubChem CID	3798703
IUPAC Name	2-prop-2-enoxybenzoic acid
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	2.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	189

SMILES

C=CCOC1=CC=CC=C1C(=O)O

InChI

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

InChIKey

XPWMIGFSEWFXEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59086-52-1

CID: 3798703

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189
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-312292	3-Allyloxy-benzoic acid
sc-315706	4-Allyloxy-benzoic acid
sc-306489	2-Allyloxy-5-chloro-benzoic acid
sc-335273	(2-Methyl-allyloxy) -acetic acid
sc-306491	2-Allyloxy-phenylamine
sc-335274	(2-Methyl-allyloxy) -acetic acid methyl ester
sc-348177A	4- (allyloxy) -1H-indole-2-carboxylic acid
sc-305839	2- (Allyloxy) benzohydrazide
sc-348177	4- (allyloxy) -1H-indole-2-carboxylic acid
sc-259303	2- (Methylsulphinyl) benzoic acid

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