AG000YSI

129042-60-0 | 3-Amino-3-(Benzo[D][1,3]Dioxol-5-Yl)Propanoic Acid

AG000YSI

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	129042-60-0
Catalog Number	AG000YSI(AGN-PC-0PIWUJ)
Chemical Name	3-Amino-3-(Benzo[D][1,3]Dioxol-5-Yl)Propanoic Acid
IUPAC Name	3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid
InChI	InChI=1S/C10H11NO4/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8/h1-3,7H,4-5,11H2,(H,12,13)
InChI Key	DJWMFJZOSZPAHI-UHFFFAOYSA-N
MDL Number	MFCD00736965
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	NC(CC(=O)O)C1=CC2=C(OCO2)C=C1
Synonyms	129042-60-0, 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid, 3-Amino-3-(1,3-benzodioxol-5-yl)propanoic acid, 3-AMINO-3-(BENZO[D][1,3]DIOXOL-5-YL)PROPANOIC ACID, 72071-75-1, 3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid, DJWMFJZOSZPAHI-UHFFFAOYSA-N, 1,3-Benzodioxole-5-propanoic acid, beta-amino-, 1,3-Benzodioxole-5-propanoicacid, b-amino-, BAS 07248131, ACMC-1BAZH, AC1MC9KP, 3-Amino-3-benzo[1,3]dioxol-5-ylpropionic acid, Oprea1_052302, aminobenzodioxolylpropanoicacid, SCHEMBL3728878, CTK4B6129, AA179, HMS1617D15, BCP10952, KS-00001ZT0, 8676AE, BBL012154, CCG-25064, MFCD00736965, SBB018102, STK137294, AKOS000269727, AKOS016039410, AB07011, MCULE-3602116993, RP12161, AN-32420, AB0073745, DB-041918, TL8000700, TR-023611, BB 0249742, FT-0643101, FT-0677666, T6342, 1,3-Benzodioxole-5-propanoic acid, b-amino-, 3-(1,3-BENZODIOXOL-5-YL)-BETA-ALANINE, 071A751, 7R-0606, 3-amino-3-(3,4-methylenedioxyphenyl)propionic acid, 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid, J-511579, 3-amino-3-(3,4-methylenedioxyphenyl)-propionic acid, I01-15656, 3-Amino-3-(Benzo[d]-1,3-dioxolan-5-yl)propionic Acid, 3-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-aminopropanoic acid, 3-amino-3-benzo[1,3]dioxol-5-yl-propionic acid, AldrichCPR, C10H11NO4, CID2764288, (R)-3-Amino-3-(benzo[d][1,3]dioxol-5-yl)propanoic acid, (3r)-3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid, (3s)-3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid, (S)-3-AMINO-3-(BENZO[D][1,3]DIOXOL-5-YL)PROPANOIC ACID, 723284-83-1, 723284-85-3,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number