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2- (1-Methoxycyclopropyl) acetic acid

CAT: 0926-WLC44889-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WLC44889-01Size:50 mg
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CAS Number
1546448-89-8
MDL Number
MFCD28624529
Smiles
COC1 (CC1) CC (=O) O
Molecular Formula
C6H10O3
Molecular Weight
130.14 g/mol
Controlled
No

Chemical Information

2-(1-Methoxycyclopropyl)acetic acid
CAS Number1546448-89-8
PubChem CID83872223
IUPAC Name2-(1-methoxycyclopropyl)acetic acid
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP-0.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity126
SMILES
COC1(CC1)CC(=O)O
InChI
InChI=1S/C6H10O3/c1-9-6(2-3-6)4-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKey
NCPHNERIMKBGLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-Methoxycyclopropyl)acetic acid
CAS: 1546448-89-8
CID: 83872223
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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