COC(=O)C#CC(C1=CC2=C(C=C1)OCO2)O
이름: methyl 4-(1,3-benzodioxol-5-yl)-4-hydroxybut-2-ynoate
SMILES: COC(=O)C#CC(C1=CC2=C(C=C1)OCO2)O

Molecular Processing

Molecular formula
C12H10O5
Molecular weight
234.21
Exact mass
234.0528
XLogP
0.63
TPSA
64.99
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
57.32

Supplementary Information

InChIKey: ZOMQWNOBXJFHEK-UHFFFAOYSA-N
동의어
SCHEMBL10428889ZOMQWNOBXJFHEK-UHFFFAOYSA-Nmethyl 4-hydroxy-4-[3,4-(methylenedioxy) phenyl]-2-butynoatemethyl 4-hydroxy-4[3,4-(methylenedioxy)phenyl]-2-butynoate
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