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836628-52-5 | 1(2H)-Naphthalenone, 3,4-dihydro-2-(1-methylethyl)-2-(2-propenyl)-
CAS No: 836628-52-5 Catalog No: AG004TL0 MDL No:
Product Description
Catalog Number:
AG004TL0
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-2-(1-methylethyl)-2-(2-propenyl)-
CAS Number:
836628-52-5
Molecular Formula:
C16H20O
Molecular Weight:
228.3294
IUPAC Name:
2-propan-2-yl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
InChI:
InChI=1S/C16H20O/c1-4-10-16(12(2)3)11-9-13-7-5-6-8-14(13)15(16)17/h4-8,12H,1,9-11H2,2-3H3
InChI Key:
BBSGROPONLNFEC-UHFFFAOYSA-N
SMILES:
C=CCC1(CCc2c(C1=O)cccc2)C(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.151g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.335g/mol
Monoisotopic Mass:
228.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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