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88165-93-9 | 2-Naphthalenecarboxaldehyde, 1,2,3,4-tetrahydro-4-methylene-
CAS No: 88165-93-9 Catalog No: AG004DBE MDL No:MFCD24681108
Product Description
Catalog Number:
AG004DBE
Chemical Name:
2-Naphthalenecarboxaldehyde, 1,2,3,4-tetrahydro-4-methylene-
CAS Number:
88165-93-9
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
MDL Number:
MFCD24681108
IUPAC Name:
4-methylidene-2,3-dihydro-1H-naphthalene-2-carbaldehyde
InChI:
InChI=1S/C12H12O/c1-9-6-10(8-13)7-11-4-2-3-5-12(9)11/h2-5,8,10H,1,6-7H2
InChI Key:
IRMHYWDCFSADKG-UHFFFAOYSA-N
SMILES:
O=CC1CC(=C)c2c(C1)cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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