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Home > Indoles and Oxindole > 1485-92-3
1485-92-3 | Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-
CAS No: 1485-92-3 Catalog No: AG001KZE MDL No:MFCD00059174
Product Description
Catalog Number:
AG001KZE
Chemical Name:
Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-
CAS Number:
1485-92-3
Molecular Formula:
C19H19NO
Molecular Weight:
277.3603
MDL Number:
MFCD00059174
IUPAC Name:
1',3',3'-trimethylspiro[chromene-2,2'-indole]
InChI:
InChI=1S/C19H19NO/c1-18(2)15-9-5-6-10-16(15)20(3)19(18)13-12-14-8-4-7-11-17(14)21-19/h4-13H,1-3H3
InChI Key:
CZTCZDFGLUDUQP-UHFFFAOYSA-N
SMILES:
CN1c2ccccc2C(C21C=Cc1c(O2)cccc1)(C)C
NSC Number:
206174
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.367g/mol
Monoisotopic Mass:
277.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Ultrafast UV-mid-IR investigation of the ring opening reaction of a photochromic spiropyran. | Journal of the American Chemical Society 20030312 |
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