3- (Cyclopropylmethoxy) benzoic acid

CAT: 0926-XRB68061-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-XRB68061-01Size:0.5 g

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CAS Number

1047680-61-4

MDL Number

MFCD12138595

Smiles

C1CC1COC2=CC=CC (=C2) C (=O) O

Molecular Formula

C11H12O3

Molecular Weight

192.21 g/mol

Controlled

Chemical Information

3-(Cyclopropylmethoxy)benzoic acid

CAS Number	1047680-61-4
PubChem CID	25019431
IUPAC Name	3-(cyclopropylmethoxy)benzoic acid
Molecular Formula	C11H12O3
Molecular Weight	192.21
XLogP	2.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	211

SMILES

C1CC1COC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C11H12O3/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,12,13)

InChIKey

WKMIJKYUMSWZGZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1047680-61-4

CID: 25019431

Formula: C11H12O3

MW: 192.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.21
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	192.078644241
Monoisotopic Mass	192.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211
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
LFA01376-01	2- (Cyclopropylmethoxy) -benzoic acid
FPA39105-01	4- (Cyclopropylmethoxy) -benzoic acid
FC34106-01	3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid
VQB93487-01	2-Chloro-6- (cyclopropylmethoxy) benzoic acid
UQB52150-01	3- (Cyclopropylmethoxy) propanoic acid
XZB92077-01	2-[3- (Cyclopropylmethoxy) phenyl]acetic acid
TDC36759-01	3-[ (Cyclopropylmethoxy) methyl]-4-fluorobenzoic acid
XTB16634-01	1- (Cyclopropylmethoxy) isoquinoline-3-carboxylic acid
UQB54629-01	6- (Cyclopropylmethoxy) pyridine-3-carboxylic acid
ASB51036-01	2- (Cyclopropylmethoxy) phenylboronic acid

Catalog	Name
sc-348307A	4- (cyclopropylmethoxy) benzoic acid
OR451162	2- (Cyclopropylmethoxy) -benzoic acid
OR451114-01	4- (Cyclopropylmethoxy) -benzoic acid
OR451161	3- (Cyclopropylmethoxy) -benzoic acid
AL BO 2115-01	2- (cyclopropylmethoxy) benzoic acid
269188-01	3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid
OR1082987-01	3-chloro-2- (cyclopropylmethoxy) benzoic acid
PC1026328-01	4- (Cyclopropylmethoxy) -3- (difluoromethoxy) benzoic acid
OR1101606-01	4- (Benzyloxy) -3- (cyclopropylmethoxy) benzoic acid
PC520539-01	3- (Cyclopropylmethoxy) -4- (difluoromethoxy) benzoic acid