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CAS No.: | 58503-60-9 |
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Name: | Propanal, 3-azido- |
Molecular Structure: | |
Formula: | C3H5N3O |
Molecular Weight: | 99.0922 |
The 3-Azidopropanal, with the CAS registry number 58503-60-9, is also known as Propanal, 3-azido-. This chemical's molecular formula is C3H5N3O and molecular weight is 99.10. What's more, its systematic name is 3-Azidopropanal.
Physical properties of 3-Azidopropanal are: (1)ACD/LogP: 0.129; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 28.01; (8)ACD/KOC (pH 7.4): 28.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.43 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [N-]=[N+]=N\CCC=O
(2)Std. InChI: InChI=1S/C3H5N3O/c4-6-5-2-1-3-7/h3H,1-2H2
(3)Std. InChIKey: KYCMDUGQAUUXTQ-UHFFFAOYSA-N