3- (Cyclopropylmethoxy) -4-hydroxybenzoic acid

CAT: 0127-OR1039450-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1039450-01Size:100 mg

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CAS Number

1243391-44-7

MDL Number

MFCD16999961

Purity

97%

Smiles

OC(=O)C1=CC=C(O)C(OCC2CC2)=C1

Chemical Information

3-(Cyclopropylmethoxy)-4-hydroxybenzoic acid

CAS Number	1243391-44-7
PubChem CID	69648375
IUPAC Name	3-(cyclopropylmethoxy)-4-hydroxybenzoic acid
Molecular Formula	C11H12O4
Molecular Weight	208.21
XLogP	2.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	237

SMILES

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

InChI

InChI=1S/C11H12O4/c12-9-4-3-8(11(13)14)5-10(9)15-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,13,14)

InChIKey

CPGNRCZMIIWDPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1243391-44-7

CID: 69648375

Formula: C11H12O4

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	208.07355886
Monoisotopic Mass	208.07355886
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
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
OR1081609-01	3- (Cyclopropylmethoxy) -4-methylbenzoic acid
OR470794	4- (Cyclopropylmethoxy) -3-methylbenzoic acid
PC1004153-01	4- (Cyclopropylmethoxy) -3-fluorobenzoic acid
PC53132	3- (Cyclopropylmethoxy) -4-fluorobenzoic acid
BUP18807	3-Amino-4-hydroxybenzoic acid
OR1094847-01	4-ethoxy-3-hydroxybenzoic acid
BUP17609	4-Bromo-3-hydroxybenzoic acid
OR510183-01	4-Acetyl-3-hydroxybenzoic acid
OR9414-01	4-Bromo-3-hydroxybenzoic acid
OR51350-01	4-Cyano-3-hydroxybenzoic acid

Catalog	Name
423151-01	3- (Cyclopropylmethoxy) -3-hydroxybenzoic Acid Methyl Ester
sc-348307A	4- (cyclopropylmethoxy) benzoic acid
429470-01	4- (Cyclopropylmethoxy) phenylboronic acid
FPA39105-01	4- (Cyclopropylmethoxy) -benzoic acid
ZZB22105-01	2- (Cyclopropylmethoxy) -4-methoxybenzoic acid
414155-01	2- (Cyclopropylmethoxy) -4-fluorophenylboronic acid
TRC-B429553-5G	3-(Cyclopropylmethoxy)-4-methoxybenzoic Acid
429849-01	4-[ (cyclopropylmethoxy) methyl]phenylboronic acid
TRC-C988720-1G	3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid
269188-01	3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid