Benzoic acid, 3,4-dihydroxy-5-methoxy-, methyl ester


Chemical Name: Benzoic acid, 3,4-dihydroxy-5-methoxy-, methyl ester
CAS Number: 3934-86-9
Product Number: AG00BY7Q(AGN-PC-0JM3Q5)
Synonyms:
MDL No:
Molecular Formula: C9H10O5
Molecular Weight: 198.1727

Identification/Properties


Properties
BP:
391.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
198.174g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
198.053g/mol
Monoisotopic Mass:
198.053g/mol
Topological Polar Surface Area:
76A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
205
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback