2- (cyclopropylmethoxy) benzoic acid

CAT: 1731-AL BO 2115-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1731-AL BO 2115-01Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

136013-76-8

MDL Number

MFCD06208775

Purity

0.95

Smiles

O=C (O) c1ccccc1OCC1CC1

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

2-(Cyclopropylmethoxy)benzoic acid

CAS Number	136013-76-8
PubChem CID	14955528
IUPAC Name	2-(cyclopropylmethoxy)benzoic acid
Molecular Formula	C11H12O3
Molecular Weight	192.21
XLogP	2.3
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=C2C(=O)O

InChI

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

InChIKey

NZFRVQDXLBTTLZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 136013-76-8

CID: 14955528

Formula: C11H12O3

MW: 192.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.21
XLogP3	2.3
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
AL BO 0035-01	2- (bromomethyl) benzoic acid
AL BO 1896-01	2- (trifluoromethylsulfanyl) benzoic acid
AL BW 0500-01	2- (aminomethyl) benzoic acid
FH 1C 0004-01	2- (2-phenylphenyl) benzoic acid
FH TL 00M4-01	2- (2-methylanilino) benzoic acid
FH 10 00Y4-01	2- (2-carboxyanilino) benzoic acid
AL BO 0547-01	4- (2-hydroxyethyl) benzoic acid
FH 1R W013-01	2- (N-phenylanilino) benzoic acid
AN KC 0183-01	4- (2-aminopropyl) benzoic acid
AN KA 0347-01	3- (2-aminoethyl) benzoic acid

Catalog	Name
sc-348307A	4- (cyclopropylmethoxy) benzoic acid
OR451162	2- (Cyclopropylmethoxy) -benzoic acid
OR451114-01	4- (Cyclopropylmethoxy) -benzoic acid
XRB68061-01	3- (Cyclopropylmethoxy) benzoic acid
OR451161	3- (Cyclopropylmethoxy) -benzoic acid
VQB93487-01	2-Chloro-6- (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