Methyl 3- (3-fluorophenyl) -3-hydroxypropanoate

CAT: 0127-PC1011348-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1011348-01Size:250 mg

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CAS Number

1454691-18-9

Purity

95%

Smiles

C (CC (=O) OC) (O) c1cc (ccc1) F

Chemical Information

Methyl 3-(3-fluorophenyl)-3-hydroxypropanoate

CAS Number	1454691-18-9
PubChem CID	19770408
IUPAC Name	methyl 3-(3-fluorophenyl)-3-hydroxypropanoate
Molecular Formula	C10H11FO3
Molecular Weight	198.19
XLogP	1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

COC(=O)CC(C1=CC(=CC=C1)F)O

InChI

InChI=1S/C10H11FO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5,9,12H,6H2,1H3

InChIKey

ICWIPGWKGBLGEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1454691-18-9

CID: 19770408

Formula: C10H11FO3

MW: 198.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.19
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	198.06922237
Monoisotopic Mass	198.06922237
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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
PC1012340-01	Methyl 3- (2-fluorophenyl) -3-hydroxypropanoate
PC1011347-01	Methyl 3- (4-fluorophenyl) -3-hydroxypropanoate
PC1023039-01	Ethyl 3- (3-fluorophenyl) -3-hydroxypropanoate
OR951565-01	Methyl 3-hydroxypropanoate
PC1025241-01	Ethyl 3- (2-fluorophenyl) -3-hydroxypropanoate
PC1023041-01	Ethyl 3- (4-fluorophenyl) -3-hydroxypropanoate
OR1085792-01	Methyl 3-cyclohexyl-3-hydroxypropanoate
OR1047095-01	Methyl 3-cyclopropyl-3-hydroxypropanoate
PC1009693-01	Ethyl 3- (4-chloro-3-fluorophenyl) -3-hydroxypropanoate
PC1024803-01	Ethyl 3- (3-bromo-5-fluorophenyl) -3-hydroxypropanoate

Catalog	Name
T40698-01	Methyl 3-hydroxypropanoate
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IRB77774-01	Methyl 3-cyclohexyl-2-hydroxypropanoate
QAA05576-01	Methyl 3-cyano-2-hydroxypropanoate
HAA69128-01	Methyl 2-bromo-3-hydroxypropanoate
JH597610	Methyl 2-chloro-3-hydroxypropanoate
CCA77882-01	Methyl 2- (cyclohexylformamido) -3-hydroxypropanoate
RG-M050885-01	Methyl 2-Amino-3-Hydroxypropanoate
EAC36579-01	Methyl 2- (3,4-dichlorophenyl) -3-hydroxypropanoate