4- (Hydroxymethyl) -4-methyloxolan-2-one

CAT: 0926-SVB95059-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-SVB95059-01Size:100 mg

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CAS Number

1142950-59-1

MDL Number

MFCD30726591

Smiles

CC1 (CC (=O) OC1) CO

Molecular Formula

C6H10O3

Molecular Weight

130.1 g/mol

Controlled

Chemical Information

4-(Hydroxymethyl)-4-methyloxolan-2-one

CAS Number	1142950-59-1
PubChem CID	68860022
IUPAC Name	4-(hydroxymethyl)-4-methyloxolan-2-one
Molecular Formula	C6H10O3
Molecular Weight	130.14
XLogP	-0.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	132

SMILES

CC1(CC(=O)OC1)CO

InChI

InChI=1S/C6H10O3/c1-6(3-7)2-5(8)9-4-6/h7H,2-4H2,1H3

InChIKey

QYXNYUCNIBVLMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1142950-59-1

CID: 68860022

Formula: C6H10O3

MW: 130.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.14
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	130.062994177
Monoisotopic Mass	130.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	132
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
YXC59149-01	4- (Hydroxymethyl) -3-methyloxolan-2-ones
CVD03183-01	3-Amino-4-methyloxolan-2-one hydrochlorides
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HTC71477-01	4- (Hydroxymethyl) -4-methylpyrrolidin-2-one
JWC57679-01	4- (Hydroxymethyl) -4-phenylpyrrolidin-2-one
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DCA61147-01	4- (Hydroxymethyl) piperidin-2-one
DAA84227-01	2- (Hydroxymethyl) -3,4-dihydropyrimidin-4-one
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JCA85788	4- (Hydroxymethyl) -1-isopropylpyrrolidin-2-one

Catalog	Name
sc-289590	4- (hydroxymethyl) pyrrolidin-2-one
OR1073326-01	4- (Hydroxymethyl) imidazolidin-2-one
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OR1051483-01	4- (Hydroxymethyl) -4-methyloxazolidin-2-one
OR95109-01	4- (Hydroxymethyl) piperidin-2-one
OR471489-01	4- (Hydroxymethyl) oxazolidin-2-one
OR51994	4- (Hydroxymethyl) azetidin-2-one
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