Pent-2-enoic acid

CAT: 0127-OR6566-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR6566-01Size:5 g

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CAS Number

626-98-2

MDL Number

MFCD00002704

Purity

97%

Smiles

CCC=CC(=O)O

Chemical Information

2-Pentenoic acid

RN given refers to cpd without isomeric designation; structure

CAS Number	626-98-2
PubChem CID	12299
IUPAC Name	pent-2-enoic acid
Molecular Formula	C5H8O2
Molecular Weight	100.12
XLogP	1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	84

SMILES

CCC=CC(=O)O

InChI

InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)

InChIKey

YIYBQIKDCADOSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 626-98-2

CID: 12299

Formula: C5H8O2

MW: 100.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.12
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	100.052429494
Monoisotopic Mass	100.052429494
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	84.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1008369-01	(E) -Pent-3-Enoic Acid
PC2046	2-Amino-2- (trifluoromethyl) pent-4-enoic acid
OR79995-01	(S) -2- ((Methoxycarbonyl) amino) pent-4-enoic acid
OR945430	2-Acetamido-4-methyl-pent-4-enoic acid
OR480342-01	(2R) -2-amino-2-methyl-pent-4-enoic acid
OR1030532-01	Pent-4-Enoic Anhydride
OR54404	Pent-4-enoic anhydride
OR311293-01	2-{[ (tert-butoxy) carbonyl]amino}pent-4-enoic acid
OR955678	(S) -2-Amino-pent-4-enoic acid methyl ester
OR1008624-01	(S) -2- (((Benzyloxy) Carbonyl) Amino) Pent-4-Enoic Acid

Catalog	Name
RAA66642	(2Z) -Pent-2-enoic acid
JCA72646-01	2- (2-Methylpropyl) pent-4-enoic acid
266014-01	2- (Tert-Butoxycarbonylamino) Pent-4-Enoic Acid
ZGA66081-01	3- (4-Methylphenyl) pent-2-enoic acid
BAA57571-01	2- (Propan-2-yl) pent-4-enoic acid
ZRB16096-01	3- (3-Chlorophenyl) pent-2-enoic acid, somers
GTR19278754-01	(2E) -4- (4-methylphenyl) pent-2-enoic acid
DXC56738-01	2-[2- (Cyclopentylamino) acetamido]pent-4-enoic acid hydrochloride
HIA39303-01	3- (4-Methoxyphenyl) pent-4-enoic acid
HY-W040416-01	(S) -2- (((Benzyloxy) carbonyl) amino) pent-4-enoic acid