4-Cyclopropylnicotinic acid

CAT: 0127-OR306619Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR306619Size:1 Each

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CAS Number

1558139-03-9

MDL Number

MFCD26097136

Purity

=95%

Smiles

OC(=O)c1cnccc1C2CC2

Chemical Information

4-Cyclopropylnicotinic acid

CAS Number	1558139-03-9
PubChem CID	83815778
IUPAC Name	4-cyclopropylpyridine-3-carboxylic acid
Molecular Formula	C9H9NO2
Molecular Weight	163.17
XLogP	1.3
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	189

SMILES

C1CC1C2=C(C=NC=C2)C(=O)O

InChI

InChI=1S/C9H9NO2/c11-9(12)8-5-10-4-3-7(8)6-1-2-6/h3-6H,1-2H2,(H,11,12)

InChIKey

QTTQLYQKUOIIHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1558139-03-9

CID: 83815778

Formula: C9H9NO2

MW: 163.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.17
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	163.063328530
Monoisotopic Mass	163.063328530
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	189
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
OR306638-01	5-Cyclopropylnicotinic acid
OR306620-01	6-Cyclopropylnicotinic acid
OR306618	2-Cyclopropylnicotinic acid
OR1036837	6-Chloro-2-cyclopropylnicotinic acid
OR306621-01	6-Cyclopropylpicolinic acid
OR306657-01	5-Cyclopropylpicolinic acid
OR500019-01	5-Cyclopropylpicolinic acid hydrochloride
PC3392-01	4,4,4-Trifluorocrotonic acid
OR73423-01	4,4',4''-Nitrilotribenzoic acid
OR0757	4,4,4-Trichlorobutyric acid

Catalog	Name
TKB73823-01	5-Cyclopropylnicotinic acid
UZB76165-01	2-Cyclopropylnicotinic acid
FC141188-01	6-Chloro-2-cyclopropylnicotinic acid
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
MBS6028591-01	4-Mercaptophenylbutyric Acid (4-(4-Mercaptophenyl)butyric Acid)
sc-277680	4,4,4-Trichlorobutyric acid
108847-20-8-01	Dibenzothiophene-4-boronic acid; 4-DIBENZOTHIENYLBORONIC ACID
sc-262191	4,4,4-Trifluorobutyric acid
FD54832-01	4,4'-Dibenzoic acid
FD22559-01	4,4'-Dithiobisbenzoic acid