200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 85757-68-2
85757-68-2 | 2-Heptenoic acid, 6-hydroxy-2-methyl-, methyl ester, (E)-
CAS No: 85757-68-2 Catalog No: AG004Y7Y MDL No:
Product Description
Catalog Number:
AG004Y7Y
Chemical Name:
2-Heptenoic acid, 6-hydroxy-2-methyl-, methyl ester, (E)-
CAS Number:
85757-68-2
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
methyl 6-hydroxy-2-methylhept-2-enoate
InChI:
InChI=1S/C9H16O3/c1-7(9(11)12-3)5-4-6-8(2)10/h5,8,10H,4,6H2,1-3H3
InChI Key:
VNZAPPRHYICFND-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/CCC(O)C)/C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.