Home Other Building Blocks 2-Propenoic acid, 6-hydroxyhexyl ester

2-Propenoic acid, 6-hydroxyhexyl ester

CAS No.:
10095-14-4
Catalog Number:
AG0003AG
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG0003AG
Chemical Name:
2-Propenoic acid, 6-hydroxyhexyl ester
CAS Number:
10095-14-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD27964776
IUPAC Name:
6-hydroxyhexyl prop-2-enoate
InChI:
InChI=1S/C9H16O3/c1-2-9(11)12-8-6-4-3-5-7-10/h2,10H,1,3-8H2
InChI Key:
OCIFJWVZZUDMRL-UHFFFAOYSA-N
SMILES:
OCCCCCCOC(=O)C=C
EC Number:
233-227-0
Properties
Complexity:
132  
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:
8  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties