200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 129623-80-9
129623-80-9 | Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester
CAS No: 129623-80-9 Catalog No: AG000Z9F MDL No:
Product Description
Catalog Number:
AG000Z9F
Chemical Name:
Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester
CAS Number:
129623-80-9
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
tert-butyl 4-(4-hydroxybutyl)benzoate
InChI:
InChI=1S/C15H22O3/c1-15(2,3)18-14(17)13-9-7-12(8-10-13)6-4-5-11-16/h7-10,16H,4-6,11H2,1-3H3
InChI Key:
AZGAZHWQNPNDLW-UHFFFAOYSA-N
SMILES:
OCCCCc1ccc(cc1)C(=O)OC(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.