Pent-4-Enoic Anhydride

CAT: 0127-OR1030532-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1030532-01Size:1 g

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CAS Number

63521-92-6

Synonyms

Pent-4-enoyl pent-4-enoate

Purity

95%

Smiles

C=CCCC(=O)OC(=O)CCC=C

Chemical Information

4-Pentenoic anhydride

CAS Number	63521-92-6
PubChem CID	2733439
IUPAC Name	pent-4-enoyl pent-4-enoate
Molecular Formula	C10H14O3
Molecular Weight	182.22
XLogP	2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

C=CCCC(=O)OC(=O)CCC=C

InChI

InChI=1S/C10H14O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-4H,1-2,5-8H2

InChIKey

NEDHQDYBHYNBIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63521-92-6

CID: 2733439

Formula: C10H14O3

MW: 182.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.22
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	182.094294304
Monoisotopic Mass	182.094294304
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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
OR6566-01	Pent-2-enoic acid
OR945430	2-Acetamido-4-methyl-pent-4-enoic acid
OR1054829-01	(Z) -Pent-2-enoic acid
OR1008369-01	(E) -Pent-3-Enoic Acid
OR79995-01	(S) -2- ((Methoxycarbonyl) amino) pent-4-enoic acid
PC2046	2-Amino-2- (trifluoromethyl) pent-4-enoic acid
PC107073	2-Hydroxy-4-methyl-2- (trifluoromethyl) pent-4-enoic acid
OR311293-01	2-{[ (tert-butoxy) carbonyl]amino}pent-4-enoic acid
OR955678	(S) -2-Amino-pent-4-enoic acid methyl ester
OR480342-01	(2R) -2-amino-2-methyl-pent-4-enoic acid