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88970-51-8 | Ethanol, 1-(1(2H)-acenaphthylenylidene)-, acetate, (E)-
CAS No: 88970-51-8 Catalog No: AG0045XW MDL No:
Product Description
Catalog Number:
AG0045XW
Chemical Name:
Ethanol, 1-(1(2H)-acenaphthylenylidene)-, acetate, (E)-
CAS Number:
88970-51-8
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
1-(2H-acenaphthylen-1-ylidene)ethanol;acetic acid
InChI:
InChI=1S/C14H12O.C2H4O2/c1-9(15)13-8-11-6-2-4-10-5-3-7-12(13)14(10)11;1-2(3)4/h2-7,15H,8H2,1H3;1H3,(H,3,4)
InChI Key:
GRVMUBOSWVEHMM-UHFFFAOYSA-N
SMILES:
C/C(=C\1/Cc2c3c1cccc3ccc2)/O.CC(=O)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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