(S) -Cpp sodium

CAT: 0926-UHA97970-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-UHA97970-01Size:25 mg

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CAS Number

194979-70-9

MDL Number

MFCD28118980

Smiles

C1=CC=C (C=C1) CC (C (=O) [O-]) Cl.[Na+]

Molecular Formula

C9H8ClNaO2

Molecular Weight

206.6 g/mol

Controlled

Chemical Information

(S)-CPP sodium salt

CAS Number	194979-70-9
PubChem CID	117065474
IUPAC Name	sodium (2S)-2-chloro-3-phenylpropanoate
Molecular Formula	C9H8ClNaO2
Molecular Weight	206.60
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	158

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C9H9ClO2.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,11,12);/q;+1/p-1/t8-;/m0./s1

InChIKey

HMHPCHNNVOLTFC-QRPNPIFTSA-M

Chemical Structure

2D Structure

CAS: 194979-70-9

CID: 117065474

Formula: C9H8ClNaO2

MW: 206.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.60
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	206.0110515
Monoisotopic Mass	206.0110515
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	158
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	2
Compound Is Canonicalized	Yes

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