3-Buten-1-ol

CAT: 0926-FB32430Size: 50 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FB32430Size:50 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

627-27-0

MDL Number

MFCD00002959

Smiles

C=CCCO

Molecular Formula

C4H8O

Molecular Weight

72.11 g/mol

Controlled

Chemical Information

3-Buten-1-ol

3-Buten-1-ol is a primary alcohol.

CAS Number	627-27-0
PubChem CID	69389
IUPAC Name	but-3-en-1-ol
Molecular Formula	C4H8O
Molecular Weight	72.11
XLogP	0.6
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	24

SMILES

C=CCCO

InChI

InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2

InChIKey

ZSPTYLOMNJNZNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 627-27-0

CID: 69389

Formula: C4H8O

MW: 72.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	72.11
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	72.057514874
Monoisotopic Mass	72.057514874
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	24.8
Isotope Atom Count	0
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
FB164094-01	3-Buten-3-ethyl-1-ol
FB15773-01	3-Buten-2-ol
FB177024-01	(2R) -3-Buten-2-ol
FM158245-01	2-Methyl-3-buten-2-ol
CGA52271-01	(2E) -4,4-Dimethoxy-2-buten-1-ol
YDA01458-01	3- (Benzylamino) butan-1-ol
CCA65784-01	3- (Benzyloxy) butan-1-ol
FM180602-01	3-Methyl-2-buten-1-amine
FM25632-01	3-Methyl-2-buten-1-thiol
PDA00250-01	3-Methyl-3- (methylsulfanyl) butan-1-ol