200,000+ products from a single source!
sales@angenechem.com
132691-45-3 | Benzenepropanoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
CAS No: 132691-45-3 Catalog No: AG00110Y MDL No:MFCD08234831
Product Description
Catalog Number:
AG00110Y
Chemical Name:
Benzenepropanoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
CAS Number:
132691-45-3
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD08234831
IUPAC Name:
3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoic acid
InChI:
InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12-6-4-11(5-7-12)8-9-13(17)18/h4-7H,8-10H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
VCUMJMFHSOBLMG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc(cc1)CCC(=O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^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.