200,000+ products from a single source!
sales@angenechem.com
832734-31-3 | 2-Pentenoic acid, 3-bromo-4,4-dimethyl-, 1-methylethyl ester, (2Z)-
CAS No: 832734-31-3 Catalog No: AG004TB3 MDL No:
Product Description
Catalog Number:
AG004TB3
Chemical Name:
2-Pentenoic acid, 3-bromo-4,4-dimethyl-, 1-methylethyl ester, (2Z)-
CAS Number:
832734-31-3
Molecular Formula:
C10H17BrO2
Molecular Weight:
249.1448
IUPAC Name:
propan-2-yl 3-bromo-4,4-dimethylpent-2-enoate
InChI:
InChI=1S/C10H17BrO2/c1-7(2)13-9(12)6-8(11)10(3,4)5/h6-7H,1-5H3
InChI Key:
CGYOCKAXXBSNLF-UHFFFAOYSA-N
SMILES:
CC(OC(=O)/C=C(/C(C)(C)C)\Br)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.148g/mol
Monoisotopic Mass:
248.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.