200,000+ products from a single source!
sales@angenechem.com
120019-19-4 | 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-1-hexenyl)- (9CI)
CAS No: 120019-19-4 Catalog No: AG000Q38 MDL No:
Product Description
Catalog Number:
AG000Q38
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-1-hexenyl)- (9CI)
CAS Number:
120019-19-4
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
4-(6-methyl-4-oxohept-2-en-2-yl)cyclohexene-1-carboxylic acid
InChI:
InChI=1S/C15H22O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,17,18)
InChI Key:
IVWKCWHRLFIGCR-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C=C(C1CCC(=CC1)C(=O)O)C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.