α-Butylcinnamaldehyde

CAT: 0024-sc-504481Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-504481Size:250 mg

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CAS Number

7492-44-6

Chemical Information

Butylcinnamaldehyde, alpha-

CAS Number	7492-44-6
PubChem CID	5385520
IUPAC Name	(2E)-2-benzylidenehexanal
Molecular Formula	C13H16O
Molecular Weight	188.26
XLogP	3.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	187

SMILES

CCCC/C(=C\C1=CC=CC=C1)/C=O

InChI

InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+

InChIKey

GFBCBQNBXRPRQD-JLHYYAGUSA-N

Chemical Structure

2D Structure

CAS: 7492-44-6

CID: 5385520

Formula: C13H16O

MW: 188.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.26
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	188.120115130
Monoisotopic Mass	188.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	187
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
469335-01	α-Butylcinnamaldehyde
469336-01	α-Butylcinnamaldehyde-d5
TRC-B692590-250MG	alpha-Butylcinnamaldehyde
TRC-B692592-25MG	alpha-Butylcinnamaldehyde-d5