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89386-91-4 | 1(4H)-Naphthalenone, 4-(3-hydroxy-2-propenylidene)-
CAS No: 89386-91-4 Catalog No: AG003WBP MDL No:
Product Description
Catalog Number:
AG003WBP
Chemical Name:
1(4H)-Naphthalenone, 4-(3-hydroxy-2-propenylidene)-
CAS Number:
89386-91-4
Molecular Formula:
C13H10O2
Molecular Weight:
198.2173
IUPAC Name:
3-(4-hydroxynaphthalen-1-yl)prop-2-enal
InChI:
InChI=1S/C13H10O2/c14-9-3-4-10-7-8-13(15)12-6-2-1-5-11(10)12/h1-9,15H
InChI Key:
OTDGHQQEWZUQRN-UHFFFAOYSA-N
SMILES:
OC=CC=C1C=CC(=O)c2c1cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.221g/mol
Monoisotopic Mass:
198.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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