200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113709-51-6
113709-51-6 | 2-Butenoic acid, 4-(3-methylphenyl)-4-oxo-, methyl ester, (E)- (9CI)
CAS No: 113709-51-6 Catalog No: AG0009F1 MDL No:
Product Description
Catalog Number:
AG0009F1
Chemical Name:
2-Butenoic acid, 4-(3-methylphenyl)-4-oxo-, methyl ester, (E)- (9CI)
CAS Number:
113709-51-6
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
methyl 4-(3-methylphenyl)-4-oxobut-2-enoate
InChI:
InChI=1S/C12H12O3/c1-9-4-3-5-10(8-9)11(13)6-7-12(14)15-2/h3-8H,1-2H3
InChI Key:
KCXQFCDPNIFGNJ-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/C(=O)c1cccc(c1)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.