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1451-36-1 | 2-Naphthalenecarboxylic acid, 8-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-5-methylene-
CAS No: 1451-36-1 Catalog No: AG001KKH MDL No:
Product Description
Catalog Number:
AG001KKH
Chemical Name:
2-Naphthalenecarboxylic acid, 8-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-5-methylene-
CAS Number:
1451-36-1
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
8-ethenyl-5-methylidene-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid
InChI:
InChI=1S/C14H18O2/c1-3-10-5-4-9(2)12-7-6-11(14(15)16)8-13(10)12/h3,8,10,12-13H,1-2,4-7H2,(H,15,16)
InChI Key:
OBKSUSLJGNFZDQ-UHFFFAOYSA-N
SMILES:
C=CC1CCC(=C)C2C1C=C(CC2)C(=O)O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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