(S) -2-Chloropentanedioic acid

CAT: 0127-OR1070423-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1070423-01Size:250 mg

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CAS Number

1369533-83-4

MDL Number

MFCD11870122

Purity

95%

Smiles

O=C(O)[C@@H](Cl)CCC(O)=O

Chemical Information

(S)-2-Chloropentanedioic acid

CAS Number	1369533-83-4
PubChem CID	56971796
IUPAC Name	(2S)-2-chloropentanedioic acid
Molecular Formula	C5H7ClO4
Molecular Weight	166.56
XLogP	0.3
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	145

SMILES

C(CC(=O)O)[C@@H](C(=O)O)Cl

InChI

InChI=1S/C5H7ClO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1

InChIKey

KJFNGSHVXRYBEJ-VKHMYHEASA-N

Chemical Structure

2D Structure

CAS: 1369533-83-4

CID: 56971796

Formula: C5H7ClO4

MW: 166.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.56
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	166.0032864
Monoisotopic Mass	166.0032864
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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