Phthalamic Acid

CAT: 1299-RG-E140102-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140102-04Size:100 mg

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CAS Number

88-97-1

Synonyms

2-carbamoylbenzoic acid

Molecular Formula

C8H7NO3

Molecular Weight

165.15

Product Name Synonym

2-carbamoylbenzoic acid

Chemical Information

Phthalamic acid

2-carbamoylbenzoic acid is a carbamoylbenzoic acid.

CAS Number	88-97-1
PubChem CID	6957
IUPAC Name	2-carbamoylbenzoic acid
Molecular Formula	C8H7NO3
Molecular Weight	165.15
XLogP	0.1
Topological Polar Surface Area	80.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	202

SMILES

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

InChI

InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)

InChIKey

CYMRPDYINXWJFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88-97-1

CID: 6957

Formula: C8H7NO3

MW: 165.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.15
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.042593085
Monoisotopic Mass	165.042593085
Topological Polar Surface Area	80.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	202
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
RG-A260520-01	Phthalic Acid Diallyl Ester
RG-A260481-01	Phthalic Acid Bis (Methylglycol) Ester
RG-A260513-01	Phthalic Acid Monomethyl Ester-D4
RG-A260482-01	Phthalic Acid Di-N-Octyl Ester
RG-A260521-01	Phthalic Acid, Bis-N-Pentyl Ester
RG-A260744-01	Phthalic Acid Mono (2-Ethylhexyl) Ester (Mehp)
RM-A130206-01	Ambroxol Acid; Bromhexine Acid
RG-D150301-01	Docosahexaenoic Acid; Cervonic Acid
RG-A260524-01	N-Acetylneuraminic Acid; Lactaminic Acid
RM-L091600-01	Thioctic Acid; Alpha Lipoic Acid

Catalog	Name
TRC-P384250-5G	Phthalamic Acid
TRC-P384252-10MG	Phthalamic Acid-d4
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284830-01	S- (-) -N- (a-Methylbenzyl) phthalamic Acid
TRC-N378115-1G	N-(1-Naphthyl)phthalamic Acid
456772-01	N- (1-Naphthyl) phthalamic Acid
OR323094-01	N-Biphenyl-4-yl-phthalamic acid
sc-250881	(R) - (+) -N- (1-Phenylethyl) phthalamic acid
DAA13076-01	N- (3-Carboxy-propyl) -phthalamic acid
sc-279680	N-Adamantan-1-yl-phthalamic acid