名称: 3-methylbut-3-enoate
SMILES:
CC(=C)CC(=O)[O-]Molecular Processing
Molecular formula
C5H7O2-
Molecular weight
99.11
Exact mass
99.0452
XLogP
-0.3
TPSA
40.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
24.44
Supplementary Information
InChIKey: IGRURXZWJCSNKU-UHFFFAOYSA-M
同義語
isopropenylacetateiso-propenylacetateIGRURXZWJCSNKU-UHFFFAOYSA-MAKOS024437494
7 件の反応に参加→