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100885-87-8 | 2-Naphthalenebutanal
CAS No: 100885-87-8 Catalog No: AG000349 MDL No:
Product Description
Catalog Number:
AG000349
Chemical Name:
2-Naphthalenebutanal
CAS Number:
100885-87-8
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
4-naphthalen-2-ylbutanal
InChI:
InChI=1S/C14H14O/c15-10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h1-2,6-11H,3-5H2
InChI Key:
WFTLTSOFIDZVLY-UHFFFAOYSA-N
SMILES:
O=CCCCc1ccc2c(c1)cccc2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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