γ-Butyrolactone-13C4

CAT: 0024-sc-504543Size: 0.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-504543Size:0.5 mg

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CAS Number

848486-92-0

Chemical Information

(~13~C_4_)Oxolan-2-one

CAS Number	848486-92-0
PubChem CID	71309290
IUPAC Name	(2,3,4,5-13C4)oxolan-2-one
Molecular Formula	C4H6O2
Molecular Weight	90.060
XLogP	-0.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	67

SMILES

[13CH2]1[13CH2][13C](=O)O[13CH2]1

InChI

InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2/i1+1,2+1,3+1,4+1

InChIKey

YEJRWHAVMIAJKC-JCDJMFQYSA-N

Chemical Structure

2D Structure

CAS: 848486-92-0

CID: 71309290

Formula: C4H6O2

MW: 90.060

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	90.060
XLogP3	-0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	90.05019877
Monoisotopic Mass	90.05019877
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	67.9
Isotope Atom Count	4
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
167306	γ-Butyrolactone-13C4
469663-01	β-Butyrolactone
06504-72	Γ-Butyrolactone
261631-01	Gamma-Butyrolactone (γ-Butyrolactone) discontinued
602005	γ‐BUTYROLACTONE
DGB64918-01	Butyrolactone 3
443690-01	Butyrolactone II
S-701	G-Butyrolactone
1022030 500	Gamma- Butyrolactone
HY-N15226	Butyrolactone Ia