Methyl 4-hydroxy-2,5-dimethylbenzoate

CAT: 0127-OR1097762Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1097762Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

27023-05-8

MDL Number

MFCD13659356

Smiles

C1 (c (cc (c (c1) C (=O) OC) C) O) C

Chemical Information

Methyl 4-hydroxy-2,5-dimethylbenzoate

CAS Number	27023-05-8
PubChem CID	22615980
IUPAC Name	methyl 4-hydroxy-2,5-dimethylbenzoate
Molecular Formula	C10H12O3
Molecular Weight	180.20
XLogP	2.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	191

SMILES

CC1=CC(=C(C=C1O)C)C(=O)OC

InChI

InChI=1S/C10H12O3/c1-6-5-9(11)7(2)4-8(6)10(12)13-3/h4-5,11H,1-3H3

InChIKey

VZEFUBJGXCSOBD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27023-05-8

CID: 22615980

Formula: C10H12O3

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191
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
OR1043077-01	Methyl 4-hydroxy-3,5-dimethylbenzoate
OR79669	Methyl 4-hydroxy-2,6-dimethylbenzoate
OR931778	Methyl 4-hydroxy-2,3-dimethylbenzoate
OR1096847-01	Ethyl 4-hydroxy-2,5-dimethylbenzoate
PC1013234-01	Methyl 4-fluoro-2,5-dimethylbenzoate
OR1088611-01	Methyl 2- (benzyloxy) -4,5-dimethylbenzoate
OR52899-01	Methyl 2,4-dimethylbenzoate
OR1082907-01	Methyl 2-bromo-4,5-dimethylbenzoate
OR1082715-01	Methyl 4-chloro-2,5-dimethylbenzoate
OR1025275-01	Methyl 5-Iodo-2,4-Dimethylbenzoate

Catalog	Name
455533-01	Methyl 4-Hydroxy-2, 5-dimethylbenzoate
TRC-M312605-50MG	Methyl 4-Hydroxy-2,5-dimethylbenzoate
VXB23023-01	Methyl 4-bromo-2,5-dimethylbenzoate
YAA61771	Methyl 2,4-dimethylbenzoate
QFA11297-01	Methyl 5-amino-2,4-dimethylbenzoate
TRC-M297085-250MG	Methyl 4-Bromo-3,5-dimethylbenzoate
sc-235749	Methyl 3,5-dimethylbenzoate
GWB63480-01	Methyl 3- (chlorosulfonyl) -4,5-dimethylbenzoate
GTR19251545-01	Methyl 3,4-dimethylbenzoate
EDA90992	Methyl 4-amino-2,6-dimethylbenzoate