Minodronic Acid Impurity 22

CAT: 1299-RM-M041848-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-M041848-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1575-59-3

Synonyms

(Z) -4-oxobut-2-enoic acid

Molecular Formula

C4H4O3

Molecular Weight

100.07

Target Alternative Name

Minodronic Acid

Product Name Synonym

(Z) -4-oxobut-2-enoic acid

Chemical Information

(2Z)-4-Oxo-2-butenoic acid

CAS Number	1575-59-3
PubChem CID	12248527
IUPAC Name	(Z)-4-oxobut-2-enoic acid
Molecular Formula	C4H4O3
Molecular Weight	100.07
XLogP	-0.5
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	104

SMILES

C(=C\C(=O)O)\C=O

InChI

InChI=1S/C4H4O3/c5-3-1-2-4(6)7/h1-3H,(H,6,7)/b2-1-

InChIKey

ZOIRMVZWDRLJPI-UPHRSURJSA-N

Chemical Structure

2D Structure

CAS: 1575-59-3

CID: 12248527

Formula: C4H4O3

MW: 100.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.07
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	100.016043985
Monoisotopic Mass	100.016043985
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	104
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	1
Compound Is Canonicalized	Yes