CAS: 2896-60-8
이름: 4-ethylbenzene-1,3-diol
SMILES:
CCC1=C(C=C(C=C1)O)OMolecular Processing
Molecular formula
C8H10O2
Molecular weight
138.17
Exact mass
138.0681
XLogP
1.66
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
39.15
Supplementary Information
InChIKey: VGMJYYDKPUPTID-UHFFFAOYSA-N
동의어
4-ETHYLRESORCINOL4-ethylbenzene-1,3-diol1,3-Benzenediol, 4-ethyl-6-EthylresorcinolResorcinol, 4-ethyl-1,3-Dihydroxy-4-ethylbenzene2,4-Dihydroxy-1-ethylbenzene4-Ethyl-1,3-benzenediolUNII-8YE81T06D58YE81T06D5EINECS 220-777-1NSC 62013NSC-62013DTXSID5062689RefChem:98922Resorcinol, 4-ethyl-(8CI)DTXCID2037897220-777-1InChI=1/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1HVGMJYYDKPUPTID-UHFFFAOYSA-N2896-60-84-ETHYL RESORCINOLMFCD000022834-ethyl-benzene-1,3-diolCHEMBL23327764-Ethyl-resorcinol2,4-Dihydroxyethylbenzene4-Ethylresorcinol, 98%SCHEMBL403754-Ethyl-1,3-benzenediol #
16개 반응에 참여→