Sodium cinnamate

CAT: 0024-sc-482123Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-482123Size:25 g

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CAS Number

538-42-1

Chemical Information

Sodium cinnamate

CAS Number	538-42-1
PubChem CID	5462638
IUPAC Name	sodium (E)-3-phenylprop-2-enoate
Molecular Formula	C9H7NaO2
Molecular Weight	170.14
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

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

InChI

InChI=1S/C9H8O2.Na/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);/q;+1/p-1/b7-6+;

InChIKey

DXIHILNWDOYYCH-UHDJGPCESA-M

Chemical Structure

2D Structure

CAS: 538-42-1

CID: 5462638

Formula: C9H7NaO2

MW: 170.14

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	170.14
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.03437374
Monoisotopic Mass	170.03437374
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes