Supercinnamaldehyde

CAT: 0127-BUP01773-02Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP01773-02Size:5 mg

Selected

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

Quick Request Actions

CAS Number

70351-51-8

Purity

=98%

Smiles

O=C(C=C1C(=O)N(C=2C=CC=CC12)C)C

Chemical Information

Supercinnamaldehyde

CAS Number	70351-51-8
PubChem CID	12480412
IUPAC Name	(3Z)-1-methyl-3-(2-oxopropylidene)indol-2-one
Molecular Formula	C12H11NO2
Molecular Weight	201.22
XLogP	0.9
Topological Polar Surface Area	37.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	333

SMILES

CC(=O)/C=C\1/C2=CC=CC=C2N(C1=O)C

InChI

InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7-

InChIKey

CZKBLHCEDVWPRN-YFHOEESVSA-N

Chemical Structure

2D Structure

CAS: 70351-51-8

CID: 12480412

Formula: C12H11NO2

MW: 201.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.22
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	201.078978594
Monoisotopic Mass	201.078978594
Topological Polar Surface Area	37.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	333
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
BA7038-1	Supercinnamaldehyde