CCOC(=O)C1=CC(=C(C=C1)O)O
CAS: 3943-89-3
Name: ethyl 3,4-dihydroxybenzoate
SMILES: CCOC(=O)C1=CC(=C(C=C1)O)O

Molecular Processing

Molecular formula
C9H10O4
Molecular weight
182.18
Exact mass
182.0579
XLogP
1.27
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
45.73

Supplementary Information

InChIKey: KBPUBCVJHFXPOC-UHFFFAOYSA-N
Synonyme
Ethyl 3,4-dihydroxybenzoate3943-89-3Ethyl protocatechuateProtocatechuic acid ethyl ester3,4-Dihydroxybenzoic Acid Ethyl EsterEthyl-3,4-dihydroxybenzoateDTXSID20577324YGJ96WTBGNSC-86130DTXCID3031521CHEBI:132364RefChem:138647223-529-0Benzoic acid, 3,4-dihydroxy-, ethyl esterMFCD00002199CHEMBL4862163,4-Dihydroxy-benzoic acid ethyl esterEDHBUNII-4YGJ96WTBG3,4-Dihydroxybenzoic Acid Ethyl Ester; Protocatechuic Acid Ethyl Ester; Ethyl Protocatechuate; NSC 619681; NSC 86130;EINECS 223-529-0NSC 86130EC 223-529-03,4-DHBEEOPSCHEMBL39791ethyl 3,4-dihydroxy benzoateEthyl-3,4-dihydroxy-benzoateorb1301586Protocatechuic acid, ethyl esterSCHEMBL29625511
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