(2S) -3-Cyclohexyl-2-hydroxypropanoic acid

CAT: 0926-MCA37741-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-MCA37741-01Size:250 mg

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CAS Number

62377-41-7

MDL Number

MFCD17171008

Smiles

C1CCC (CC1) CC (C (=O) O) O

Molecular Formula

C9H16O3

Molecular Weight

172.22 g/mol

Controlled

Chemical Information

(2S)-3-cyclohexyl-2-hydroxypropanoic acid

CAS Number	62377-41-7
PubChem CID	12756210
IUPAC Name	(2S)-3-cyclohexyl-2-hydroxypropanoic acid
Molecular Formula	C9H16O3
Molecular Weight	172.22
XLogP	2.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	150

SMILES

C1CCC(CC1)C[C@@H](C(=O)O)O

InChI

InChI=1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)/t8-/m0/s1

InChIKey

WMHUKKRNWMPXKB-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 62377-41-7

CID: 12756210

Formula: C9H16O3

MW: 172.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.22
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	172.109944368
Monoisotopic Mass	172.109944368
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
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WPA96143-01	3,3-Difluoro-2-hydroxypropanoic acid

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