Methyl 3- (1-hydroxypropyl) benzoate

CAT: 0127-OR1088877-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1088877-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

261783-88-4

Purity

95%

Smiles

C1 (cccc (c1) C (CC) O) C (=O) OC

Chemical Information

Methyl 3-(1-hydroxypropyl)benzoate

CAS Number	261783-88-4
PubChem CID	10821633
IUPAC Name	methyl 3-(1-hydroxypropyl)benzoate
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	2.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	191

SMILES

CCC(C1=CC(=CC=C1)C(=O)OC)O

InChI

InChI=1S/C11H14O3/c1-3-10(12)8-5-4-6-9(7-8)11(13)14-2/h4-7,10,12H,3H2,1-2H3

InChIKey

DDPLCXDVXMCIPT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 261783-88-4

CID: 10821633

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	191
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
OR1048621-01	Methyl 3- (1-amino-3-hydroxypropyl) benzoate hydrochloride
OR1093404-01	Ethyl 3- (1-hydroxypropyl) benzoate
OR1035597-01	Methyl 4- (2-hydroxypropyl) benzoate
OR97140	(+) -2- (benzyloxy) -3-hydroxypropyl benzoate
OR7568	Methyl 3- (3-hydroxyprop-1-yn-1-yl) benzoate
OR470203	Methyl 3- (1-Pyrrolidinyl) benzoate
OR1045429-01	Methyl 3- (1-aminoethyl) benzoate
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OR1060178-01	Methyl 3- (1-bromoethyl) benzoate
OR471065	Methyl 3- (1-Hydroxyethyl) benzoate

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