CC1=C(C=C(C=C1)C(=O)O)C
CAS: 619-04-5
Name: 3,4-dimethylbenzoic acid
SMILES: CC1=C(C=C(C=C1)C(=O)O)C

Molecular Processing

Molecular formula
C9H10O2
Molecular weight
150.18
Exact mass
150.0681
XLogP
2
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
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
0.222
Molar refractivity
42.88

Supplementary Information

InChIKey: OPVAJFQBSDUNQA-UHFFFAOYSA-N
Synonyme
3,4-DIMETHYLBENZOIC ACID619-04-5Benzoic acid, 3,4-dimethyl-Z2TCZ088AVDTXSID5060693CHEBI:64818RefChem:91209DTXCID2043165210-576-73,4-DiMethyl-Benzoic AcidMFCD00002524o-Xylene-4-carboxylic Acid1-Carboxy-3,4-dimethylbenzene3,4-DimethylbenzoicacidBRN 0907267EINECS 210-576-7UNII-Z2TCZ088AV3,4-dimethyl benzoic acid3, 4 dimethyl benzoic acid4-09-00-01803 (Beilstein Handbook Reference)SCHEMBL310259SCHEMBL501764orb1307131SCHEMBL4468254SCHEMBL29421064OPVAJFQBSDUNQA-UHFFFAOYSA-3,4-Dimethylbenzoic acid, 98%SBB043550STL169575AKOS000120463
Quelle anzeigen →
An 51 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→