200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 132570-81-1
132570-81-1 | 5-Heptynoic acid, 7-(6-oxo-1-cyclohexen-1-yl)-, methyl ester
CAS No: 132570-81-1 Catalog No: AG0010UW MDL No:
Product Description
Catalog Number:
AG0010UW
Chemical Name:
5-Heptynoic acid, 7-(6-oxo-1-cyclohexen-1-yl)-, methyl ester
CAS Number:
132570-81-1
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
methyl 7-(6-oxocyclohexen-1-yl)hept-5-ynoate
InChI:
InChI=1S/C14H18O3/c1-17-14(16)11-5-3-2-4-8-12-9-6-7-10-13(12)15/h9H,3,5-8,10-11H2,1H3
InChI Key:
SREYRUJLDIYIQT-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC#CCC1=CCCCC1=O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.