3,3-Diethoxypropanoic acid

CAT: 0127-OR90205-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR90205-01Size:250 mg

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CAS Number

6191-97-5

MDL Number

MFCD06208054

Purity

95%

Smiles

CCOC(CC(=O)O)OCC

Chemical Information

3,3-Diethoxypropanoic acid

CAS Number	6191-97-5
PubChem CID	415282
IUPAC Name	3,3-diethoxypropanoic acid
Molecular Formula	C7H14O4
Molecular Weight	162.18
XLogP	0.3
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	107

SMILES

CCOC(CC(=O)O)OCC

InChI

InChI=1S/C7H14O4/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)

InChIKey

AKTDHHFJFNIILG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6191-97-5

CID: 415282

Formula: C7H14O4

MW: 162.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	162.08920892
Monoisotopic Mass	162.08920892
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	107
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
PC7820A-01	3,3,3-Trifluoropropanoic acid
OR1010724-01	3,3,3-Triphenylpropanoic Acid
OR1074931-01	3,3',3''-Phosphinetriyltripropanoic acid
OR1072752-01	3,3',3''-Phosphoryltripropanoic acid
OR1026809-01	3,3',3''-Nitrilotripropanoic Acid
PC110739-01	3,3-Difluorobutanoic acid
PC102128-01	3,3-Difluoropropanoic acid
OR1010761-01	3,3-Dithiodipropionic Acid
PC400716-01	3,3-Difluorocyclobutanecarboxylic acid
OR1010742	3,3’-Iminodipropionic Acid

Catalog	Name
AL BO 0407-01	3,3-diethoxypropanoic acid
HY-W127810-01	3,3',3''-Nitrilotripropionic Acid
sc-254521	3,3,3-Trifluoropropionic acid
AAA90091-01	3,3,3-Triphenylpropionic Acid
JH920405	3,3',3''-phosphinylidynetrisPropanoic acid
426797-01	3,3,3-Trifluoropropanoic Acid
FD33699-01	3,3-Dimethylglutaric acid
ZIB66920-01	3,3-Difluorocyclohexanecarboxylic Acid
ZFA68086-01	3,3-Dicyclopropylpropanoic acid
KAC89705	3,3-difluorocyclopentanecarboxylic acid