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20202-05-5 | 9,10-Ethanoanthracene-9(10H)-carboxylic acid
CAS No: 20202-05-5 Catalog No: AG00280T MDL No:
Product Description
Catalog Number:
AG00280T
Chemical Name:
9,10-Ethanoanthracene-9(10H)-carboxylic acid
CAS Number:
20202-05-5
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
IUPAC Name:
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
InChI:
InChI=1S/C17H14O2/c18-16(19)17-10-9-11(12-5-1-3-7-14(12)17)13-6-2-4-8-15(13)17/h1-8,11H,9-10H2,(H,18,19)
InChI Key:
BVLVSIVPACIYAV-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCC(c3c1cccc3)c1c2cccc1
NSC Number:
122876
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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