2-Cyclopropoxybenzoic acid

CAT: 0926-TZB37460-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-TZB37460-01Size:50 mg

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CAS Number

1243374-60-8

MDL Number

MFCD17000472

Smiles

C1CC1OC2=CC=CC=C2C (=O) O

Molecular Formula

C10H10O3

Molecular Weight

178.18 g/mol

Controlled

Chemical Information

2-Cyclopropoxybenzoic acid

CAS Number	1243374-60-8
PubChem CID	21452925
IUPAC Name	2-cyclopropyloxybenzoic acid
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	2.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	198

SMILES

C1CC1OC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C10H10O3/c11-10(12)8-3-1-2-4-9(8)13-7-5-6-7/h1-4,7H,5-6H2,(H,11,12)

InChIKey

HJBBRHYDVCVOEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1243374-60-8

CID: 21452925

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	198
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

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