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129119-99-9 | 2-Butenoic acid, 4-(6-methoxy-2-naphthalenyl)-4-oxo-, (2E)-
CAS No: 129119-99-9 Catalog No: AG000YV6 MDL No:
Product Description
Catalog Number:
AG000YV6
Chemical Name:
2-Butenoic acid, 4-(6-methoxy-2-naphthalenyl)-4-oxo-, (2E)-
CAS Number:
129119-99-9
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
IUPAC Name:
4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C15H12O4/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)14(16)6-7-15(17)18/h2-9H,1H3,(H,17,18)
InChI Key:
DEVFGGMZYONYBJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)C(=O)/C=C/C(=O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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