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100046-58-0 | 2-Naphthalenecarboxylic acid, 3,4-dihydro-, ethyl ester
CAS No: 100046-58-0 Catalog No: AG0000NP MDL No:
Product Description
Catalog Number:
AG0000NP
Chemical Name:
2-Naphthalenecarboxylic acid, 3,4-dihydro-, ethyl ester
CAS Number:
100046-58-0
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
ethyl 3,4-dihydronaphthalene-2-carboxylate
InChI:
InChI=1S/C13H14O2/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,9H,2,7-8H2,1H3
InChI Key:
DLWBMIPICBZTCL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=Cc2c(CC1)cccc2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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