1,2,3-Butanetriol

CAT: 1596-AR-B08073-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B08073-01Size:10 Units

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CAS Number

4435-50-1

Molecular Formula

C4H10O3

Molecular Weight

106.12

API Name

Butane

Chemical Information

1,2,3-Butanetriol

1,2,3-butanetriol is a triol that is butane carrying three hydroxy substituents at position 1, 2 and 3. It derives from a hydride of a butane.

CAS Number	4435-50-1
PubChem CID	20497
IUPAC Name	butane-1,2,3-triol
Molecular Formula	C4H10O3
Molecular Weight	106.12
XLogP	-1.3
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	46

SMILES

CC(C(CO)O)O

InChI

InChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3

InChIKey

YAXKTBLXMTYWDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4435-50-1

CID: 20497

Formula: C4H10O3

MW: 106.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	106.12
XLogP3	-1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	106.062994177
Monoisotopic Mass	106.062994177
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M03410	1,2,4-Butanetriol
AR-M03411	(S) - (-) -1, 2, 4-Butanetriol
AR-B07497-01	Tris (2,3-dimethyl-2,3-butanediol) Diborate
AR-E01126-01	(2R,3R) -2- (2,4-Difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) -2,3-butanediol Mesylate
AR-D06046-01	Dapagliflozin 2,3-Butanediol Mononohydrate
AR-M02625-01	4-?chloro-1, ?3-?Butanediol
AR-M05115-01	2,2,3,3,5,5,6,6-Octafluoro-4- (1,1,2,2,3,3,3-heptafluoropropyl) Morpholine
AR-T05854-01	1,2,3-Triazine
AR-M03661-01	1,2,3-Trimethoxybenzene
AR-P32844-01	3- (3-Amino-2-hydroxypropoxy) -1,2-propanediol