3-Benzyloxycyclobutanecarboxylic Acid - CAS 4958-02-5

Catalog:	BB026739
Product Name:	3-Benzyloxycyclobutanecarboxylic Acid
CAS:	4958-02-5
Synonyms:	3-phenylmethoxy-1-cyclobutanecarboxylic acid; 3-phenylmethoxycyclobutane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-phenylmethoxycyclobutane-1-carboxylic acid
Description:	3-Benzyloxycyclobutanecarboxylic Acid (CAS# 4958-02-5) is a useful building block for organic synthesis.
Molecular Weight:	206.24
Molecular Formula:	C12H14O3
Canonical SMILES:	C1C(CC1OCC2=CC=CC=C2)C(=O)O
InChI:	InChI=1S/C12H14O3/c13-12(14)10-6-11(7-10)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
InChI Key:	YNNOFVDQHAHVFG-UHFFFAOYSA-N
Boiling Point:	352.675 ℃ at 760 mmHg
Density:	1.199 g/cm³
Appearance:	Solid
MDL:	MFCD00512751
LogP:	2.06640

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.094294304
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.094294304
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7