CAS: 2107-70-2
Name: 3-(3,4-dimethoxyphenyl)propanoic acid
SMILES:
COC1=C(C=C(C=C1)CCC(=O)O)OCMolecular Processing
Molecular formula
C11H14O4
Molecular weight
210.23
Exact mass
210.0892
XLogP
1.72
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
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
0.364
Molar refractivity
55.5
Supplementary Information
InChIKey: LHHKQWQTBCTDQM-UHFFFAOYSA-N
Synonyme
2107-70-23-(3,4-Dimethoxyphenyl)propionic acid3-(3,4-Dimethoxyphenyl)propanoic acidBenzenepropanoic acid, 3,4-dimethoxy-6XO32ZSP1D3,4-DIMETHOXYBENZENEPROPIONIC ACIDNSC-760433,4-DIMETHOXYBENZENEPROPANOIC ACID3,4-dimethoxy-alpha-beta-dihydrocinnamic acidCHEBI:44235DTXSID70175294EINECS 218-288-3NSC 76043HYDROCINNAMIC ACID, 3,4-DIMETHOXY-.BETA.-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDRefChem:491464DTXCID1097785beta-(3,4-dimethoxyphenyl)propionic acid218-288-3InChI=1/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,133,4-Dimethoxyhydrocinnamic acidMFCD000027743-(3,4-Dimethoxyphenyl)-propionic acid3-(3,4-Dimethoxy-phenyl)-propionic acid3-(3,4-Dimethoxyphenyl)propanonic acid2ay33-(3',4'-dimethoxyphenyl)propanoic acid3,4-methoxycinnamic acidUNII-6XO32ZSP1DOprea1_529953
An 57 Reaktionen beteiligt→