2-Hydroxy-2- (1-hydroxycyclobutyl) acetic acid

CAT: 0926-UEA62024-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-UEA62024-01Size:50 mg

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CAS Number

119620-24-5

MDL Number

MFCD19230745

Smiles

C1CC (C1) (C (C (=O) O) O) O

Molecular Formula

C6H10O4

Molecular Weight

146.14 g/mol

Controlled

Chemical Information

2-Hydroxy-2-(1-hydroxycyclobutyl)acetic acid

CAS Number	119620-24-5
PubChem CID	55303276
IUPAC Name	2-hydroxy-2-(1-hydroxycyclobutyl)acetic acid
Molecular Formula	C6H10O4
Molecular Weight	146.14
XLogP	-0.2
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	150

SMILES

C1CC(C1)(C(C(=O)O)O)O

InChI

InChI=1S/C6H10O4/c7-4(5(8)9)6(10)2-1-3-6/h4,7,10H,1-3H2,(H,8,9)

InChIKey

KNBCZPQLRVXXCE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119620-24-5

CID: 55303276

Formula: C6H10O4

MW: 146.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.14
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	146.05790880
Monoisotopic Mass	146.05790880
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IMB69545-01	-2 (1-Hydroxycyclobutyl) Acetic Acid
GCB24009-01	2,2-Difluoro-2- (1-hydroxycyclobutyl) acetic acid
YZB66873-01	2- (1-Hydroxycyclobutyl) propanoic acid
BAA67871-01	2-Hydroxy-2- (2-hydroxyphenyl) acetic acid
PDA94235-01	2-Hydroxy-2- (2-iodophenyl) acetic acid
FH59086-01	2-hydroxy-2- (3-hydroxy-4-methoxyphenyl) acetic acid
EBA33653-01	2- (4-Hydroxy-2-methylphenyl) acetic acid
PDA94284-01	2-Hydroxy-2- (4-hydroxy-3-nitrophenyl) acetic acid
PAA39963-01	(1-Hydroxy-cyclohexyl) -acetic acid
ZLB01202-01	(S) -2- ((2-Hydroxy-1-phenylethyl) amino) acetic acid

Catalog	Name
OR87334-01	2- (1-Hydroxycyclobutyl) acetic acid
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sc-308052	2-Hydroxy-2- (2-hydroxy-1-naphthyl) acetic acid
OR1046577-01	2- (1-Hydroxycyclobutyl) -2-phenylacetic acid
JH912951	2- (1-Hydroxycyclobutyl) propanoic acid
sc-259143	2- (2-Hydroxy-1-naphthyl) acetic acid
AR-A05397-01	2- (2-Hydroxy-1-Oxopropoxy) Acetic Acid
OR88709-01	2-Hydroxy-2- (1-methylcyclopropyl) acetic acid
279278-01	2-[ (1-Hydroxy-2-naphthalenyl) oxy]acetic acid
418201-01	2-Hydroxy-2- (1- (mercaptomethyl) cyclopropyl) acetic Acid