Angelic anhudride

CAT: 1407-AB0057Size: 20 mgDry Ice: NoHazardous: No

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CAT#:1407-AB0057Size:20 mg

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CAS Number

94487-74-8

Purity

98% (HPLC)

Molecular Formula

C10H14O3

Molecular Weight

182.219

Chemical Information

Angelic Anhydride

CAS Number	94487-74-8
PubChem CID	44630058
IUPAC Name	[(Z)-2-methylbut-2-enoyl] (Z)-2-methylbut-2-enoate
Molecular Formula	C10H14O3
Molecular Weight	182.22
XLogP	2.3
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	244

SMILES

C/C=C(\C(=O)OC(=O)/C(=C\C)/C)/C

InChI

InChI=1S/C10H14O3/c1-5-7(3)9(11)13-10(12)8(4)6-2/h5-6H,1-4H3/b7-5-,8-6-

InChIKey

LIHLSLRANKCHLV-SFECMWDFSA-N

Chemical Structure

2D Structure

CAS: 94487-74-8

CID: 44630058

Formula: C10H14O3

MW: 182.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.22
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	182.094294304
Monoisotopic Mass	182.094294304
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AB1545	Angelica lactone
AB3114	Angelol A

Catalog	Name
TRC-A637730-5G	Angelic Acid
TWS1293-01	Angelic anhydride