AG006O4Q

952681-82-2 | 2-(1'-tert-butoxycarbonylspiro[chromane-2,4'-piperidine]-4-yl)acetic acid

AG006O4Q

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CAS Number	952681-82-2
Catalog Number	AG006O4Q(AGN-PC-0BL845)
Chemical Name	2-(1'-tert-butoxycarbonylspiro[chromane-2,4'-piperidine]-4-yl)acetic acid
IUPAC Name	2-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetic acid
InChI	InChI=1S/C20H27NO5/c1-19(2,3)26-18(24)21-10-8-20(9-11-21)13-14(12-17(22)23)15-6-4-5-7-16(15)25-20/h4-7,14H,8-13H2,1-3H3,(H,22,23)
InChI Key	LYCHAPYFHHUAFB-UHFFFAOYSA-N
MDL Number	MFCD12198637
Molecular Formula	C20H27NO5
Molecular Weight	361.4321
SMILES	C(C)(C)(C)OC(=O)N1CCC3(CC1)CC(C2=CC=CC=C2O3)CC(=O)O
Synonyms	952681-82-2, 2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidine]-4-yl)acetic acid, AK-38694, 2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidin]-4-yl)acetic acid, 2-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetic acid, 2-{1'-[(tert-butoxy)carbonyl]-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-yl}acetic acid, SCHEMBL1222452, CTK8B5732, KS-00001CCB, DTXSID40719220, 2-(1'-N-Boc-spiro[chroman-2,4'-piperidine]-4-yl)acetic acid, ANW-49851, MFCD12198637, AKOS015919957, CB-3298, MB11780, AM804601, BR-38694, OR315425, AB0027840, AX8163408, TC-138596, 4CH-008910, CS-0037514, ST24027421, W9732, S-7480, 2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidine]-4-yl)aceticacid, [1'-(tert-Butoxycarbonyl)-3,4-dihydrospiro[1-benzopyran-2,4'-piperidin]-4-yl]acetic acid, 1'-(tert-butoxycarbonyl)-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-ylacetic acid, 2-(1'-(tert-Butoxycarbonyl)spiro[chroman-2,4'-piperidine]-4-yl)acetic acid, AldrichCPR, C20H27NO5,

Complexity	533
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	361.189g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	361.438g/mol
Monoisotopic Mass	361.189g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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