Propyl gallate 10g

CAT: 0628-A22576-10000Size: 10000 mgDry Ice: NoHazardous: No

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CAT#:0628-A22576-10000Size:10000 mg

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CAS Number

121-79-9

Chemical Information

Propyl Gallate

N-propyl gallate is a trihydroxybenzoic acid.

CAS Number	121-79-9
PubChem CID	4947
IUPAC Name	propyl 3,4,5-trihydroxybenzoate
Molecular Formula	C10H12O5
Molecular Weight	212.20
XLogP	1.8
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	206

SMILES

CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3

InChIKey

ZTHYODDOHIVTJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121-79-9

CID: 4947

Formula: C10H12O5

MW: 212.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.20
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	212.06847348
Monoisotopic Mass	212.06847348
Topological Polar Surface Area	87 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	206
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AB3358	Propyl gallate