CC(=O)NCC1=CC2=C(C=C1)OCO2
CAS: 59682-83-6
Name: N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: CC(=O)NCC1=CC2=C(C=C1)OCO2

Molecular Processing

Molecular formula
C10H11NO3
Molecular weight
193.2
Exact mass
193.0739
XLogP
1.05
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
50.09

Supplementary Information

InChIKey: YFWYIWVJRPDXQD-UHFFFAOYSA-N
Synonyme
59682-83-6DTXSID60975083N-((2H-1,3-Benzodioxol-5-yl)methyl)ethanimidic acidN-[(2H-1,3-Benzodioxol-5-yl)methyl]ethanimidic acidRefChem:1090678DTXCID501402492N-(1,3-benzodioxol-5-ylmethyl)acetamideN-(benzo[d][1,3]dioxol-5-ylmethyl)acetamideN-[(2H-1,3-benzodioxol-5-yl)methyl]acetamideNSC154573Oprea1_387294SCHEMBL4991673SCHEMBL5815420HMS5090J01STK395778AKOS003284199NSC-1545731,3-Benzodioxol, 5-(acetylaminomethyl)DB-101405ST4132000CS-0326897AO-080/40107532N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)acetamide
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