S) - (+) -2-Butanol

CAT: 0063-50323992-1gSize: 1 gDry Ice: NoHazardous: No

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CAT#:0063-50323992-1gSize:1 g

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CAS Number

4221-99-2

Molecular Formula

C4H10O

Molecular Weight

74.12

Formulation

C4H10O

Chemical Information

(+)-2-Butanol

(2S)-butan-2-ol is a butan-2-ol. It is an enantiomer of a (2R)-butan-2-ol.

CAS Number	4221-99-2
PubChem CID	444683
IUPAC Name	(2S)-butan-2-ol
Molecular Formula	C4H10O
Molecular Weight	74.12
XLogP	0.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	19

SMILES

CC[C@H](C)O

InChI

InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1

InChIKey

BTANRVKWQNVYAZ-BYPYZUCNSA-N

Chemical Structure

2D Structure

CAS: 4221-99-2

CID: 444683

Formula: C4H10O

MW: 74.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	74.12
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	74.073164938
Monoisotopic Mass	74.073164938
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	19.6
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