3-Acetamidophthalic acid

CAT: 0926-QAA37106-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-QAA37106-01Size:100 mg

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CAS Number

15371-06-9

MDL Number

MFCD00612509

Smiles

CC (=O) NC1=CC=CC (=C1C (=O) O) C (=O) O

Molecular Formula

C10H9NO5

Molecular Weight

223.18 g/mol

Controlled

Chemical Information

3-Acetamidophthalic acid

CAS Number	15371-06-9
PubChem CID	84885
IUPAC Name	3-acetamidophthalic acid
Molecular Formula	C10H9NO5
Molecular Weight	223.18
XLogP	1.4
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	314

SMILES

CC(=O)NC1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C10H9NO5/c1-5(12)11-7-4-2-3-6(9(13)14)8(7)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)

InChIKey

ONSCGVISIRLDJQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15371-06-9

CID: 84885

Formula: C10H9NO5

MW: 223.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.18
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	223.04807239
Monoisotopic Mass	223.04807239
Topological Polar Surface Area	104 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	314
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
FA63286-01	3-Acetamidophthalic anhydride
FAA96183-01	3,3-oxydipropanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
RLC35226-01	3,3-Dicyclobutylpropanoic acid
FD79195-01	3,3-Difluoropentanedioic Acid
FD33667-01	3,3-Diphenylpropionic acid
IWC69923-01	3,3-Difluoropentanoic acid
KAC89705	3,3-difluorocyclopentanecarboxylic acid
FD33699-01	3,3-Dimethylglutaric acid

Catalog	Name
TRC-A161140-25MG	3-Acetamidophthalic Acid
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
C7173-500	3,3-Dimethylglutaric acid
HY-W016614	3,3'-Thiodipropanoic acid
TRC-D445368-10MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D491725-25G	3,3-Diphenylpropionic Acid
sc-209691	3,3'-Dithiobisbenzoic Acid
sc-347292	3,3-dicyclopropylpropanoic acid
TRC-D263058-250MG	3,3'-Diselenobispropionic Acid
OR1049098-01	3,3-Dibromoacrylic acid