200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1000536-33-3
1000536-33-3 | Benzeneacetic acid, 4-(2-hydroxyethyl)-α,α-dimethyl-, methyl ester
CAS No: 1000536-33-3 Catalog No: AG0000PN MDL No:MFCD09926736
Product Description
Catalog Number:
AG0000PN
Chemical Name:
Benzeneacetic acid, 4-(2-hydroxyethyl)-α,α-dimethyl-, methyl ester
CAS Number:
1000536-33-3
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD09926736
IUPAC Name:
methyl 2-[4-(2-hydroxyethyl)phenyl]-2-methylpropanoate
InChI:
InChI=1S/C13H18O3/c1-13(2,12(15)16-3)11-6-4-10(5-7-11)8-9-14/h4-7,14H,8-9H2,1-3H3
InChI Key:
MHPPJDQIHMPUHJ-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)C(C(=O)OC)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.