(R) - (-) -1,3-Butanediol

CAT: 0024-sc-258062ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-258062ASize:5 g

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CAS Number

6290-03-5

Chemical Information

(-)-1,3-Butanediol

(R)-butane-1,3-diol is a butane-1,3-diol of R-configuration. It is an enantiomer of a (S)-butane-1,3-diol.

CAS Number	6290-03-5
PubChem CID	637497
IUPAC Name	(3R)-butane-1,3-diol
Molecular Formula	C4H10O2
Molecular Weight	90.12
XLogP	-0.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	28

SMILES

C[C@H](CCO)O

InChI

InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1

InChIKey

PUPZLCDOIYMWBV-SCSAIBSYSA-N

Chemical Structure

2D Structure

CAS: 6290-03-5

CID: 637497

Formula: C4H10O2

MW: 90.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	90.12
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	90.068079557
Monoisotopic Mass	90.068079557
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	28.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
sc-486802	(R) -1,2-Butanediol
sc-296233	(R) -4-Benzyloxy-1,3-butanediol
sc-229035	(R, R) - (+) -1,4-Dimethoxy-2,3-butanediol
sc-237711	(±) -1,3-Butanediol
sc-237711A	(±) -1,3-Butanediol
sc-229114	(R) -2-Methyl-1,4-butanediol
sc-296232A	(R) -4-Benzyloxy-1,2-butanediol
sc-296232	(R) -4-Benzyloxy-1,2-butanediol
sc-222935	1,3-Butanediol dimethacrylate
sc-296230	(R) -4- (4-Methoxybenzyloxy) -1,2-butanediol