3-Cyclopropylphenol

CAT: 0127-OR70007-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR70007-01Size:250 mg

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CAS Number

28857-88-7

Synonyms

(3-Hydroxyphenyl) cyclopropane

MDL Number

MFCD06802406

Purity

97%

Smiles

Oc1cccc(c1)C2CC2

Chemical Information

3-Cyclopropylphenol

CAS Number	28857-88-7
PubChem CID	20100004
IUPAC Name	3-cyclopropylphenol
Molecular Formula	C9H10O
Molecular Weight	134.17
XLogP	2.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	118

SMILES

C1CC1C2=CC(=CC=C2)O

InChI

InChI=1S/C9H10O/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7,10H,4-5H2

InChIKey

VLLXOHZPGOGGGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28857-88-7

CID: 20100004

Formula: C9H10O

MW: 134.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.17
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	134.073164938
Monoisotopic Mass	134.073164938
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
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
DBA85788	3-Cyclopropylphenol
KAA29261	4-Cyclopropylphenol
KAA29260-01	2-Cyclopropylphenol
CGC66687-01	5-Fluoro-3-cyclopropylphenol
JH915177	3-bromo-5-chloro-4-cyclopropylphenol
DMC10302-01	2-Chloro-4-cyclopropylphenol
BGC06566-01	4-Chloro-2-cyclopropylphenol
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane