C1OC2=C(O1)C=C(C=C2)C=CC(=O)O
CAS: 2373-80-0
Name: 3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)O

Molecular Processing

Molecular formula
C10H8O4
Molecular weight
192.17
Exact mass
192.0423
XLogP
1.51
TPSA
55.76
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
0.1
Molar refractivity
49.23

Supplementary Information

InChIKey: QFQYZMGOKIROEC-UHFFFAOYSA-N
Synonyme
2373-80-03,4-Methylenedioxy Cinnamic Acid3-(1,3-benzodioxol-5-yl)prop-2-enoic acid3-benzo[1,3]dioxol-5-yl-acrylic acid4-MethylendioxyzimtsaureEnamine_0010773,4-(Methylenedioxy)cinnamic acid, predominantly transSCHEMBL794283,4methylenedioxycinnamic acidorb1298147SCHEMBL296448963,4-methylenedioxy-cinnamic acidQFQYZMGOKIROEC-UHFFFAOYSA-NDTXSID7010199063',4'-Methylenedioxycinnamic acid3-benzo-1,3-dioxol-5-ylacrylic acidAKOS0172686623-Benzo[1,3] dioxol-5-yl-acrylic acidPD211457SY014210DB-046232DB-0696983-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
Quelle anzeigen →
An 32 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→