Benzoic acid, m-(2,3-dihydroxypropoxy)-, methyl ester

HCID 49017
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
67032-33-1
Standard SMILES
COC(=O)c1cccc(OCC(O)CO)c1
InChIKey
APZIDRCACRTPAG-UHFFFAOYSA-N
Molecular formula
C11H14O5
Average molar mass
226.23 g/mol
Monoisotopic mass
226.08412355

Names & identifiers

Preferred name
Benzoic acid, m-(2,3-dihydroxypropoxy)-, methyl ester
IUPAC
methyl 3-(2,3-dihydroxypropoxy)benzoate
English name
m-(2,3-Dihydroxypropoxy)benzoic acid methyl ester
Molecular formula
C11H14O5
Molecular weight
226.23

Names & synonyms

67032-33-1BENZOIC ACID, m-(2,3-DIHYDROXYPROPOXY)-, METHYL ESTERRefChem:1079216methyl 3-(2,3-dihydroxypropoxy)benzoatem-(2,3-Dihydroxypropoxy)benzoic acid methyl esterBRN 3054317m-(2,3-Dihydroxypropoxy)benzoic acid, methyl esterstarbld0025255orb1986413SCHEMBL6533938DTXSID10985970APZIDRCACRTPAG-UHFFFAOYSA-N
Show more names
Benzoic acid, 3-(2,3-dihydroxypropoxy)-, methyl ester
AKOS038544347methyl 3-(2,3-dihydoxypropyloxy)benzoateT30393

Database identifiers

CAS
67032-33-1
PubChem CID
49017
DTXSID
DTXSID10985970
Nikkaji
J83.349E

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
76 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
16

Chemistry & industry

Suppliers2 total

TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…