CAS: 245748-88-3
名称: methyl 3-oxo-3-(1,3-thiazol-2-yl)propanoate
SMILES:
COC(=O)CC(=O)C1=NC=CS1Molecular Processing
Molecular formula
C7H7NO3S
Molecular weight
185.2
Exact mass
185.0147
XLogP
0.89
TPSA
56.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
43.08
Supplementary Information
InChIKey: RWDSLNJXQVGSII-UHFFFAOYSA-N
同義語
methyl 3-oxo-3-(1,3-thiazol-2-yl)propanoate245748-88-3SCHEMBL2800676RWDSLNJXQVGSII-UHFFFAOYSA-NMFCD23743211AKOS018237111SY497786Methyl 3-Oxo-3-(thiazol-2-yl)propanoateDB-334577methyl3-oxo-3-(1,3-thiazol-2-yl)propanoateEN300-153107methyl 3-oxo-3-(1,3-thiazol-2-yl)propionate
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