1-Butanol-d10

CAT: 0024-sc-224583Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-224583Size:1 g

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CAS Number

34193-38-9

Chemical Information

1-Butanol-d10

CAS Number	34193-38-9
PubChem CID	2733134
IUPAC Name	1,1,1,2,2,3,3,4,4-nonadeuterio-4-deuteriooxybutane
Molecular Formula	C4H10O
Molecular Weight	84.18
XLogP	0.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	5
Formal Charge	0
Complexity	13

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H]

InChI

InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2,5D

InChIKey

LRHPLDYGYMQRHN-NWURLDAXSA-N

Chemical Structure

2D Structure

CAS: 34193-38-9

CID: 2733134

Formula: C4H10O

MW: 84.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	84.18
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	84.135932398
Monoisotopic Mass	84.135932398
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	13.1
Isotope Atom Count	10
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