2-{3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'-yl}ethanol

2-{3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'-yl}ethanol

CAS: 16111-07-2

Formula: C20H20N2O4

SMILES: CC1(C)C2=CC=CC=C2N(CCO)C11OC2=C(C=C1)C=C(C=C2)[N+]([O-])=O

IUPAC: 2-{3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-1'-yl}ethan-1-ol

InChI: InChI=1/C20H20N2O4/c1-19(2)16-5-3-4-6-17(16)21(11-12-23)20(19)10-9-14-13-15(22(24)25)7-8-18(14)26-20/h3-10,13,23H,11-12H2,1-2H3

Composition: C (68.17%), H (5.72%), N (7.95%), O (18.16%)

Molar Mass: 352.39

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	352.142307132
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FGJPKPQMQFZPJY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.55
Topological Polar Surface Area	75.84
Polarizability	37.17
Ring Count	4
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
93%	<5 Days	16111-07-2		$34.05-$230.76$34.05$99.62$230.76