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17511-60-3 | 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-propanoate
CAS No: 17511-60-3 Catalog No: AG00205L MDL No:MFCD00169831
Product Description
Catalog Number:
AG00205L
Chemical Name:
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-propanoate
CAS Number:
17511-60-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD00169831
IUPAC Name:
8-tricyclo[5.2.1.02,6]dec-3-enyl propanoate
InChI:
InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3
InChI Key:
BLBJUGKATXCWET-UHFFFAOYSA-N
SMILES:
CCC(=O)OC1CC2CC1C1C2C=CC1
EC Number:
241-514-7
UNII:
S3ASM14UAS
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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