Trans-3-Hydroxycyclobutanecarboxylic acid

CAT: 0926-TAC52185-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-TAC52185-01Size:250 mg

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CAS Number

1268521-85-2

MDL Number

MFCD17676395

Smiles

C1C (CC1O) C (=O) O

Controlled

Chemical Information

3-Hydroxycyclobutane-1-carboxylic acid

CAS Number	1268521-85-2
PubChem CID	22640986
IUPAC Name	3-hydroxycyclobutane-1-carboxylic acid
Molecular Formula	C5H8O3
Molecular Weight	116.11
XLogP	-0.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	104

SMILES

C1C(CC1O)C(=O)O

InChI

InChI=1S/C5H8O3/c6-4-1-3(2-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)

InChIKey

ZSHGVMYLGGANKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1268521-85-2

CID: 22640986

Formula: C5H8O3

MW: 116.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.11
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	116.047344113
Monoisotopic Mass	116.047344113
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	104
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
ZXB55664-01	1- (4-bromophenyl) -3-hydroxycyclobutanecarboxylic acid
AAA55568-01	Trans-3-Nitrocinnamic acid
FI05443-01	Trans-3-Indoleacrylic acid
GCD90004-01	Trans-3-Bromocyclobutanecarboxylic acid
FN38644-01	Trans-3-Nitrocinnamic acid
NHA54572-01	Trans-3-ethoxycinnamic acid
FM26099-01	Trans, trans-Muconic acid
BGC10371-01	3- (METHOXYCARBONYL) CYCLOBUTANECARBOXYLIC ACID, trans
HAA34582	Trans-2,3-Dimethoxycinnamic Acid
JDA18260-01	Trans-3-Aminocyclobutanecarboxylic acid hydrochloride

Catalog	Name
OR924057-01	Trans-3-Hydroxycyclobutanecarboxylic acid
OR308101-01	3-Hydroxycyclobutanecarboxylic acid
OR317124	Cis-3-Hydroxycyclobutanecarboxylic acid
PC100903-01	1- (Difluoromethyl) -3-hydroxycyclobutanecarboxylic acid
OR73614-01	1-Hydroxycyclobutanecarboxylic acid
OR87426-01	3- ((tert-Butoxycarbonyl) amino) -1-hydroxycyclobutanecarboxylic acid
OR1042396-01	(1s,3s) -1- (4-Chlorophenyl) -3-hydroxycyclobutanecarboxylic acid
HY-W015273A-01	Trans-3-Indoleacrylic acid
TRC-F863680-2.5G	trans-3-Furanacrylic Acid
sc-229505	Trans-3-Fluorocinnamic acid