3-Ureidobenzoic acid

CAT: 0926-VAA63243-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-VAA63243-01Size:1 g

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CAS Number

20632-43-3

MDL Number

MFCD02379821

Molecular Formula

C8H8N2O3

Molecular Weight

180.16 g/mol

Controlled

Chemical Information

3-((Aminocarbonyl)Amino)Benzoic Acid

CAS Number	20632-43-3
PubChem CID	295979
IUPAC Name	3-(carbamoylamino)benzoic acid
Molecular Formula	C8H8N2O3
Molecular Weight	180.16
XLogP	0.7
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	217

SMILES

C1=CC(=CC(=C1)NC(=O)N)C(=O)O

InChI

InChI=1S/C8H8N2O3/c9-8(13)10-6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)

InChIKey

RWDCBLOFRYIIOL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20632-43-3

CID: 295979

Formula: C8H8N2O3

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	180.05349212
Monoisotopic Mass	180.05349212
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217
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
FAA96183-01	3,3-oxydipropanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
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KAC89705	3,3-difluorocyclopentanecarboxylic acid
FD33699-01	3,3-Dimethylglutaric acid
ZIB66920-01	3,3-Difluorocyclohexanecarboxylic Acid
ZFA68086-01	3,3-Dicyclopropylpropanoic acid
QDA80883-01	3,3-Dimethylhexanoic acid
RLC35226-01	3,3-Dicyclobutylpropanoic acid
FD79195-01	3,3-Difluoropentanedioic Acid

Catalog	Name
OR1032355-01	4-Ureidobenzoic acid
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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