4-Methyl-2-phenylpentanoic acid

CAT: 0926-PAA32058-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-PAA32058-01Size:50 mg

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CAS Number

14320-58-2

MDL Number

MFCD00230422

Smiles

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

Molecular Formula

C12H16O2

Molecular Weight

192.25 g/mol

Controlled

Chemical Information

4-Methyl-2-phenylpentanoic acid

See also: 4-Methyl-2-phenyl-pentanoic acid (annotation moved to).

CAS Number	14320-58-2
PubChem CID	236577
IUPAC Name	4-methyl-2-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	4
Heavy Atom Count	14
Formal Charge	0
Complexity	181

SMILES

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

InChI

InChI=1S/C12H16O2/c1-9(2)8-11(12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)

InChIKey

DHURPAIUOZIQDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14320-58-2

CID: 236577

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	4
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	181
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
EAA40855-01	4-Methyl-4-phenylpentanoic acid
SIA19570-01	4-Methyl-2-oxo-4-phenylpentanoic acid
BCA69050-01	4-Methyl-3-phenylpentanoic acid
HAA78237	3-Methyl-2-phenylpentanoic acid
TFA09760-01	2-Methyl-5-phenylpentanoic acid
RAA43343-01	4-Phenylpentanoic acid
CAA93913-01	3-Methyl-5-phenylpentanoic acid
WLD60329-01	2-Amino-4-phenylpentanoic acid hydrochloride
EEA21693-01	2-hydroxy-5-phenylpentanoic acid
FAA66917-01	3-phenylpentanoic acid

Catalog	Name
OR1004034-01	3-Methyl-2-phenylpentanoic acid
OR85489	2-Phenylpentanoic acid
OR1047483-01	3-Methyl-5-phenylpentanoic acid
OR1032637-01	(2S,4R) -4-Amino-2-methyl-5-phenylpentanoic acid hydrochloride
OR4177-01	5-Phenylpentanoic acid
OR1069662-01	2-Amino-5-phenylpentanoic acid
OR1074302-01	(S) -2- ((((9H-Fluoren-9-yl) methoxy) carbonyl) amino) -4-methyl-4-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