Minodronic Acid Impurity 24

CAT: 1299-RM-M041850-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M041850-01Size:10 mg

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CAS Number

114736-26-4

Synonyms

Ethyl (Z) -4,4-dimethoxybut-2-enoate

Molecular Formula

C8H14O4

Molecular Weight

174.2

Target Alternative Name

Minodronic Acid

Product Name Synonym

Ethyl (Z) -4,4-dimethoxybut-2-enoate

Chemical Information

Minodronic Acid Impurity 24

CAS Number	114736-26-4
PubChem CID	124518467
IUPAC Name	ethyl (Z)-4,4-dimethoxybut-2-enoate
Molecular Formula	C8H14O4
Molecular Weight	174.19
XLogP	0.6
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	149

SMILES

CCOC(=O)/C=C\C(OC)OC

InChI

InChI=1S/C8H14O4/c1-4-12-7(9)5-6-8(10-2)11-3/h5-6,8H,4H2,1-3H3/b6-5-

InChIKey

SIRJFJKWVNTUKV-WAYWQWQTSA-N

Chemical Structure

2D Structure

CAS: 114736-26-4

CID: 124518467

Formula: C8H14O4

MW: 174.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.19
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	174.08920892
Monoisotopic Mass	174.08920892
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149
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