3,5-Diethoxybenzoic acid

CAT: 0024-sc-226291Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226291Size:1 g

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CAS Number

124480-95-1

Chemical Information

3,5-Diethoxybenzoic acid

CAS Number	124480-95-1
PubChem CID	721136
IUPAC Name	3,5-diethoxybenzoic acid
Molecular Formula	C11H14O4
Molecular Weight	210.23
XLogP	2.9
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	191

SMILES

CCOC1=CC(=CC(=C1)C(=O)O)OCC

InChI

InChI=1S/C11H14O4/c1-3-14-9-5-8(11(12)13)6-10(7-9)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)

InChIKey

FCSNGXDTYSQXPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 124480-95-1

CID: 721136

Formula: C11H14O4

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	210.08920892
Monoisotopic Mass	210.08920892
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191
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

Catalog	Name
ZEA48095	3,5-Diethoxybenzoic acid
FD37820-01	3,4-Diethoxybenzoic acid
OR1092159-01	2,3-diethoxybenzoic acid
D19241-01	3 4-Diethoxybenzoic Acid 95%
VAA19772-01	2-Amino-4,5-diethoxybenzoic acid
OR1042588-01	2,6-Diethoxybenzoic acid
FA67916-01	2-Amino-3,4-diethoxybenzoic acid
OR1029368-01	2,4-Diethoxybenzoic Acid
232231-01	3,4-Diethoxybenzoic acid 99+% (HPLC)
IAC64118-01	2-Amino-4,5-diethoxybenzoic acid hydrochloride