3-Chroman-6-yl-propionic acid

CAT: 0926-PKB93953-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-PKB93953-01Size:100 mg

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CAS Number

889939-53-1

MDL Number

MFCD08146588

Smiles

C1CC2=C (C=CC (=C2) CCC (=O) O) OC1

Molecular Formula

C12H14O3

Molecular Weight

206.24 g/mol

Controlled

Chemical Information

3-(3,4-dihydro-2H-1-benzopyran-6-yl)propanoic acid

CAS Number	889939-53-1
PubChem CID	6504214
IUPAC Name	3-(3,4-dihydro-2H-chromen-6-yl)propanoic acid
Molecular Formula	C12H14O3
Molecular Weight	206.24
XLogP	2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	227

SMILES

C1CC2=C(C=CC(=C2)CCC(=O)O)OC1

InChI

InChI=1S/C12H14O3/c13-12(14)6-4-9-3-5-11-10(8-9)2-1-7-15-11/h3,5,8H,1-2,4,6-7H2,(H,13,14)

InChIKey

FAIYPDNLZRNKNX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 889939-53-1

CID: 6504214

Formula: C12H14O3

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	206.094294304
Monoisotopic Mass	206.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
NCA47663-01	Chroman-6-yl-acetic acid
ELA26184-01	Chroman-6-ylboronic acid
DEA20384-01	Chroman-6-carboxylic acid
YFB12635-01	3-Amino-3- (6-methoxy-pyridin-3-yl) -propionic acid
XJA12824-01	3-Indazol-1-yl-propionic acid
RFA50127-01	3-Isoxazol-4-yl-propionic acid
FAA65526-01	2- (Chroman-4-yl) acetic acid
YDA33484	3- (6-Oxo-1,4,5,6-tetrahydro-pyridazin-3-yl) -propionic acid
SGA68363-01	3- (2,6-Difluorophenyl) propionic acid
PAA78814	3-Pyrrolidin-1-yl-propionic acid HCl

Catalog	Name
sc-312872	3-Chroman-6-yl-propionic acid
sc-326660	Chroman-6-yl-acetic acid
OR1070116-01	(2- (Methoxycarbonyl) chroman-6-yl) boronic acid
sc-326659	Chroman-6-carboxylic acid
270401-01	6-Chloro-Chroman-3-carboxylic acid
sc-319398	6-Methoxy-chroman-3-carboxylic acid
OR370080-01	Chroman-6-ylboronic acid
sc-310101	3- (6-Methyl-pyridin-2-yl) -propionic acid
sc-310099	3- (6-Methoxy-indan-5-yl) -propionic acid
sc-310095	3- (6-Ethoxy-indan-5-yl) -propionic acid