CCOC(=O)c1cc(CO)cc(C(=O)O)c1
الاسم: 3-ethoxycarbonyl-5-(hydroxymethyl)benzoic acid
SMILES: CCOC(=O)c1cc(CO)cc(C(=O)O)c1

Molecular Processing

Molecular formula
C11H12O5
Molecular weight
224.21
Exact mass
224.0685
XLogP
1.05
TPSA
83.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
55.28

Supplementary Information

InChIKey: NOGJZOVCFVXNNT-UHFFFAOYSA-N
مرادفات
3-(ethoxycarbonyl)-5-(hydroxymethyl)benzoic acidSCHEMBL3349112NOGJZOVCFVXNNT-UHFFFAOYSA-N5-Hydroxymethyl-isophthalic acid monoethyl ester
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