2-methoxy-3-phenylbenzoic acid

CAT: 1731-AL BE 1402-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AL BE 1402-01Size:1 mg

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CAS Number

98496-27-6

MDL Number

MFCD06203596

Purity

0.95

Smiles

COc1c (C (=O) O) cccc1-c1ccccc1

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

2-Methoxy-3-phenylbenzoic acid

CAS Number	98496-27-6
PubChem CID	22238187
IUPAC Name	2-methoxy-3-phenylbenzoic acid
Molecular Formula	C14H12O3
Molecular Weight	228.24
XLogP	3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	258

SMILES

COC1=C(C=CC=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H12O3/c1-17-13-11(10-6-3-2-4-7-10)8-5-9-12(13)14(15)16/h2-9H,1H3,(H,15,16)

InChIKey

QSWAQPRAAPLFHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98496-27-6

CID: 22238187

Formula: C14H12O3

MW: 228.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.24
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	228.078644241
Monoisotopic Mass	228.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	258
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
AL MS 0278-01	2- (3-methoxy-2-pyridinyl) acetic acid
AL MC 0997-01	2-amino-3- (3-methoxy-2-phenylmethoxyphenyl) propanoic acid
AL BE 0234-01	2-hydroxy-3-methoxy-5-nitrobenzoic acid
AL MS 0249-01	2- (5-methoxy-3-pyridinyl) acetic acid
AL MC 0668-01	2-amino-3- (6-methoxy-3-pyridinyl) propanoic acid
AL BL 1378-01	3-amino-3- (2-methoxy-4-phenylphenyl) propanoic acid
AL BL 1380-01	3-amino-3- (2-methoxy-5-phenylphenyl) propanoic acid
AL BL 0847-01	3-amino-3- (4-methoxy-2-methylphenyl) propanoic acid
AL MC 1134-01	2-amino-3- (5-methoxy-3-pyridinyl) propanoic acid
AP KR 0007-01	2- (2-methoxy-2-oxoethyl) benzoic acid

Catalog	Name
418564-01	2-Methoxy-3-phenylbenzoic acid
436828-01	5-Methoxy-2-phenylbenzoic acid
436849-01	5-Methoxy-3-phenylbenzoic acid
EAA47764-01	4-Methoxy-3-phenylbenzoic acid
HY-W001937-01	2-Phenylbenzoic acid
BMB20081-01	3-Ethoxy-4-methoxy-5-phenylbenzoic acid
FGA50385-01	4-Hydroxy-2-phenylbenzoic acid
HEA27451-01	4-Chloro-2-phenylbenzoic acid
CAA84035-01	2-Methyl-5-phenylbenzoic acid
416815-01	2-Chloro-4-phenylbenzoic acid