COC1=C(C(CC1)CO)C(=O)OC
Name: methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate
SMILES: COC1=C(C(CC1)CO)C(=O)OC

Molecular Processing

Molecular formula
C9H14O4
Molecular weight
186.21
Exact mass
186.0892
XLogP
0.46
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
45.86

Supplementary Information

InChIKey: UEAFRDDPFPBNHA-UHFFFAOYSA-N
Synonyme
UEAFRDDPFPBNHA-UHFFFAOYSA-Nmethyl (5RS) 2-methoxy-5-hydroxymethyl-1-cyclopentene carboxylatemethyl (5RS) 2-methoxy-5-hydroxymethyl-1-cyclopentenecarboxylatemethyl(5RS) 2-methoxy-5-hydroxymethyl-1-cyclopentene carboxylate
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