Propyl 3-hydroxy-3-phenylpropanoate

CAT: 0127-OR1084716-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1084716-01Size:250 mg

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CAS Number

157430-32-5

MDL Number

MFCD35178070

Purity

97%

Smiles

C (C (=O) OCCC) C (O) c1ccccc1

Chemical Information

Propyl 3-hydroxy-3-phenylpropanoate

CAS Number	157430-32-5
PubChem CID	249508
IUPAC Name	propyl 3-hydroxy-3-phenylpropanoate
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	1.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	185

SMILES

CCCOC(=O)CC(C1=CC=CC=C1)O

InChI

InChI=1S/C12H16O3/c1-2-8-15-12(14)9-11(13)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3

InChIKey

OYRVHVIORRBIOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 157430-32-5

CID: 249508

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	208.109944368
Monoisotopic Mass	208.109944368
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	185
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
OR350163-01	Ethyl 3-Hydroxy-3-phenylpropanoate
OR1089681-01	Isopropyl 3-hydroxy-3-phenylpropanoate
OR90116-01	Methyl 3-hydroxy-2-phenylpropanoate
OR1060443-01	Ethyl 2-hydroxy-3-phenylpropanoate
OR30606-01	Ethyl (3S) -3-hydroxy-3-phenylpropanoate
OR929084-01	Methyl- (2R) -2-hydroxy-3-phenylpropanoate
OR964224-01	3- (3-Hydroxy-propyl) -phenol
OR1092759-01	Propyl 3-hydroxy-3-methylbutanoate
OR1050042-01	(S) -tert-Butyl 2-hydroxy-3-phenylpropanoate
OR1092033-01	Methyl 3-hydroxy-2,2-dimethyl-3-phenylpropanoate

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