2-Methyl-5-phenylpentanoic acid

CAT: 0926-TFA09760-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-TFA09760-01Size:100 mg

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CAS Number

143097-60-3

MDL Number

MFCD14676883

Smiles

CC (CCCC1=CC=CC=C1) C (=O) O

Molecular Formula

C12H16O2

Molecular Weight

192.25 g/mol

Controlled

Chemical Information

2-Methyl-5-phenylpentanoic acid

CAS Number	143097-60-3
PubChem CID	13462814
IUPAC Name	2-methyl-5-phenylpentanoic acid
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	3.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	171

SMILES

CC(CCCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H16O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,13,14)

InChIKey

ASZIHXOIQJBLRA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 143097-60-3

CID: 13462814

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	171
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
CAA93913-01	3-Methyl-5-phenylpentanoic acid
HAA78237	3-Methyl-2-phenylpentanoic acid
PAA32058-01	4-Methyl-2-phenylpentanoic acid
EEA21693-01	2-hydroxy-5-phenylpentanoic acid
CAA84074-01	2,2-Dimethyl-5-phenylpentanoic acid
LCC31403	2-Amino-5-phenylpentanoic acid hydrobromide
BCA69050-01	4-Methyl-3-phenylpentanoic acid
EAA40855-01	4-Methyl-4-phenylpentanoic acid
SIA19570-01	4-Methyl-2-oxo-4-phenylpentanoic acid
VNC01412-01	2-Amino-5-oxo-5-phenylpentanoic acid

Catalog	Name
OR1047483-01	3-Methyl-5-phenylpentanoic acid
OR1004034-01	3-Methyl-2-phenylpentanoic acid
OR4177-01	5-Phenylpentanoic acid
OR1069662-01	2-Amino-5-phenylpentanoic acid
OR85489	2-Phenylpentanoic acid
sc-285331A	D-2-Amino-5-phenylpentanoic acid
sc-295241	L-2-Amino-5-phenylpentanoic acid
OR1001410-01	(R) -2-Amino-5-phenylpentanoic acid
OR1032637-01	(2S,4R) -4-Amino-2-methyl-5-phenylpentanoic acid hydrochloride
GTR19270887-01	3-hydroxy-5-phenylpentanoic acid