200,000+ products from a single source!
sales@angenechem.com
189389-53-5 | Butanoic acid, (2R,3S)-3-bromotetrahydro-2H-pyran-2-yl ester
CAS No: 189389-53-5 Catalog No: AG002DMR MDL No:
Product Description
Catalog Number:
AG002DMR
Chemical Name:
Butanoic acid, (2R,3S)-3-bromotetrahydro-2H-pyran-2-yl ester
CAS Number:
189389-53-5
Molecular Formula:
C9H15BrO3
Molecular Weight:
251.1176
IUPAC Name:
[(2R,3S)-3-bromooxan-2-yl] butanoate
InChI:
InChI=1S/C9H15BrO3/c1-2-4-8(11)13-9-7(10)5-3-6-12-9/h7,9H,2-6H2,1H3/t7-,9+/m0/s1
InChI Key:
ZBOZKOVCTVWNBY-IONNQARKSA-N
SMILES:
CCCC(=O)O[C@H]1OCCC[C@@H]1Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
250.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.12g/mol
Monoisotopic Mass:
250.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.