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CAS 1664-98-8 FORMALDEHYDE-D2 molecular structure lightbox
CAS RN: 1664-98-8

FORMALDEHYDE-D2

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3 package records2 with current stock1 grade group
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Batchno.20251204 1g In stock Inquiry
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  • Product code: starshine_CAS1664-98-8
  • Purity/Analytical Methods: >99.0%
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1664-98-8 / dideuteriomethanone

Standard CAS: 1664-98-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1664-98-8
Multi CAS
No
Molecular Formula
CH2O
Molecular Weight
32.038000
Exact Mass
32.023118
SMILES
[2H]C(=O)[2H]
InChI
InChI=1S/CH2O/c1-2/h1H2/i1D2
InChIKey
WSFSSNUMVMOOMR-DICFDUPASA-N

Computed Properties

Structural Parameters

Heavy atom count
2
H-bond acceptors
1
Molar refractivity
7.12
TPSA
17.07

LogP / Solubility

WLOGP
-0.18
MLOGP
-0.18
XLogP3
1.2
Consensus LogP
0.28
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Health Hazard Flammable
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (97.4%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P203, P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 P210, P233, P240, P241, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P370+P378, P403, and P501

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