Vanillin-d3 (methoxy-d3)

CAT: 1596-AR-V06387-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-V06387-02Size:25 Units

Selected

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

Quick Request Actions

CAS Number

74495-74-2

Molecular Formula

C8H5D3O3

Molecular Weight

155.17

API Name

Vanillin

Chemical Information

4-Hydroxy-3-methoxybenzaldehyde-d3

See also: Vanillin (annotation moved to).

CAS Number	74495-74-2
PubChem CID	10749408
IUPAC Name	4-hydroxy-3-(trideuteriomethoxy)benzaldehyde
Molecular Formula	C8H8O3
Molecular Weight	155.17
XLogP	1.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	135

SMILES

[2H]C([2H])([2H])OC1=C(C=CC(=C1)C=O)O

InChI

InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i1D3

InChIKey

MWOOGOJBHIARFG-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 74495-74-2

CID: 10749408

Formula: C8H8O3

MW: 155.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.17
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	155.066174351
Monoisotopic Mass	155.066174351
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	135
Isotope Atom Count	3
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