3- (3,5-Dichlorophenyl) -3-hydroxypropanoic acid

CAT: 0926-AAC81015-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-AAC81015-01Size:100 mg

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CAS Number

1250810-15-1

MDL Number

MFCD16749162

Smiles

C1=C (C=C (C=C1Cl) Cl) C (CC (=O) O) O

Molecular Formula

C9H8Cl2O3

Molecular Weight

235.06 g/mol

Controlled

Chemical Information

3-(3,5-Dichlorophenyl)-3-hydroxypropanoic acid

CAS Number	1250810-15-1
PubChem CID	19770404
IUPAC Name	3-(3,5-dichlorophenyl)-3-hydroxypropanoic acid
Molecular Formula	C9H8Cl2O3
Molecular Weight	235.06
XLogP	1.8
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	200

SMILES

C1=C(C=C(C=C1Cl)Cl)C(CC(=O)O)O

InChI

InChI=1S/C9H8Cl2O3/c10-6-1-5(2-7(11)3-6)8(12)4-9(13)14/h1-3,8,12H,4H2,(H,13,14)

InChIKey

UAOVLUFVXKIGKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1250810-15-1

CID: 19770404

Formula: C9H8Cl2O3

MW: 235.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.06
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	233.9850495
Monoisotopic Mass	233.9850495
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	200
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

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