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15971-30-9 | 2-Propenoic acid, 3-(4-methoxy-1-naphthalenyl)-
CAS No: 15971-30-9 Catalog No: AG001RC3 MDL No:MFCD00156955
Product Description
Catalog Number:
AG001RC3
Chemical Name:
2-Propenoic acid, 3-(4-methoxy-1-naphthalenyl)-
CAS Number:
15971-30-9
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
MDL Number:
MFCD00156955
IUPAC Name:
(E)-3-(4-methoxynaphthalen-1-yl)prop-2-enoic acid
InChI:
InChI=1S/C14H12O3/c1-17-13-8-6-10(7-9-14(15)16)11-4-2-3-5-12(11)13/h2-9H,1H3,(H,15,16)/b9-7+
InChI Key:
BDWSMCXLZKKQFV-VQHVLOKHSA-N
SMILES:
COc1ccc(c2c1cccc2)C=CC(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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